2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

C22H26N8O5S — CID 135870788

IUPAC2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)/N=c2\nc3cc(OCCCS(=O)(=O)N4CCOCC4)ccc3c3n2CCN3)cn1
InChIInChI=1S/C22H26N8O5S/c23-21-25-13-15(14-26-21)20(31)28-22-27-18-12-16(2-3-17(18)19-24-4-5-30(19)22)35-8-1-11-36(32,33)29-6-9-34-10-7-29/h2-3,12-14,24H,1,4-11H2,(H2,23,25,26)/b28-22+
InChIKeyZWWZCAYUFRTMLL-XAYXJRQQSA-N
MW514.57 g/mol
LogP0.01
Rot. Bonds7

About 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide (PubChem CID 135870788) has the molecular formula C22H26N8O5S and a molecular weight of 514.57 g/mol. Its IUPAC name is 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
PubChem CID135870788
Molecular FormulaC22H26N8O5S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC Name2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)/N=c2\nc3cc(OCCCS(=O)(=O)N4CCOCC4)ccc3c3n2CCN3)cn1
InChIInChI=1S/C22H26N8O5S/c23-21-25-13-15(14-26-21)20(31)28-22-27-18-12-16(2-3-17(18)19-24-4-5-30(19)22)35-8-1-11-36(32,33)29-6-9-34-10-7-29/h2-3,12-14,24H,1,4-11H2,(H2,23,25,26)/b28-22+
InChIKeyZWWZCAYUFRTMLL-XAYXJRQQSA-N
XLogP0.01
TPSA166.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide (CID 135870788) is 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide is Nc1ncc(C(=O)/N=c2\nc3cc(OCCCS(=O)(=O)N4CCOCC4)ccc3c3n2CCN3)cn1.
What is the InChIKey of 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
The InChIKey is ZWWZCAYUFRTMLL-XAYXJRQQSA-N. The full InChI is InChI=1S/C22H26N8O5S/c23-21-25-13-15(14-26-21)20(31)28-22-27-18-12-16(2-3-17(18)19-24-4-5-30(19)22)35-8-1-11-36(32,33)29-6-9-34-10-7-29/h2-3,12-14,24H,1,4-11H2,(H2,23,25,26)/b28-22+.
What are the key properties of 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?
2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-(3-morpholin-4-ylsulfonylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide is sourced from PubChem (CID 135870788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).