1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea — IUPAC name, SMILES, InChIKey & properties

Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea (PubChem CID 158280146) has the molecular formula C96H95Cl4N27O17S8 and a molecular weight of 2297.34 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name	1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea
PubChem CID	158280146
Molecular Formula	C96H95Cl4N27O17S8
Molecular Weight	2297.34 g/mol
Exact Mass	2293.39
IUPAC Name	1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea
SMILES	O=C(Nc1ccc(-n2cnc3c4c(ccc3c2=O)NCC4)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1
InChI	InChI=1S/C26H28ClN7O4S2.C25H26ClN7O5S2.C25H26ClN7O4S2.C20H15ClN6O4S2/c27-22-8-10-24(39-22)40(37,38)32-26(36)31-19-6-9-23(29-16-19)34-17-30-21-15-18(5-7-20(21)25(34)35)28-11-4-14-33-12-2-1-3-13-33;26-21-5-7-23(39-21)40(36,37)31-25(35)30-18-3-6-22(28-15-18)33-16-29-20-14-17(2-4-19(20)24(33)34)27-8-1-9-32-10-12-38-13-11-32;26-21-7-9-23(38-21)39(36,37)31-25(35)30-18-5-8-22(28-15-18)33-16-29-20-14-17(4-6-19(20)24(33)34)27-10-3-13-32-11-1-2-12-32;21-15-4-6-17(32-15)33(30,31)26-20(29)25-11-1-5-16(23-9-11)27-10-24-18-12-7-8-22-14(12)3-2-13(18)19(27)28/h5-10,15-17,28H,1-4,11-14H2,(H2,31,32,36);2-7,14-16,27H,1,8-13H2,(H2,30,31,35);4-9,14-16,27H,1-3,10-13H2,(H2,30,31,35);1-6,9-10,22H,7-8H2,(H2,25,26,29)
InChIKey	GKCOIFDECQNGSQ-UHFFFAOYSA-N
XLogP	14.31
TPSA	559.27 Å²
H-Bond Donors	12
H-Bond Acceptors	40
Rotatable Bonds	31
Heavy Atoms	152
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2297.34
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea (CID 158280146) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea is O=C(Nc1ccc(-n2cnc3c4c(ccc3c2=O)NCC4)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2cnc3cc(NCCCN4CCOCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea?

The InChIKey is GKCOIFDECQNGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O4S2.C25H26ClN7O5S2.C25H26ClN7O4S2.C20H15ClN6O4S2/c27-22-8-10-24(39-22)40(37,38)32-26(36)31-19-6-9-23(29-16-19)34-17-30-21-15-18(5-7-20(21)25(34)35)28-11-4-14-33-12-2-1-3-13-33;26-21-5-7-23(39-21)40(36,37)31-25(35)30-18-3-6-22(28-15-18)33-16-29-20-14-17(2-4-19(20)24(33)34)27-8-1-9-32-10-12-38-13-11-32;26-21-7-9-23(38-21)39(36,37)31-25(35)30-18-5-8-22(28-15-18)33-16-29-20-14-17(4-6-19(20)24(33)34)27-10-3-13-32-11-1-2-12-32;21-15-4-6-17(32-15)33(30,31)26-20(29)25-11-1-5-16(23-9-11)27-10-24-18-12-7-8-22-14(12)3-2-13(18)19(27)28/h5-10,15-17,28H,1-4,11-14H2,(H2,31,32,36);2-7,14-16,27H,1,8-13H2,(H2,30,31,35);4-9,14-16,27H,1-3,10-13H2,(H2,30,31,35);1-6,9-10,22H,7-8H2,(H2,25,26,29).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea?

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]-3-pyridinyl]urea is sourced from PubChem (CID 158280146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).