6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine

C18H19ClN4OS — CID 138988712

IUPAC6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESClc1ccc2ncnc(NCC(c3cccs3)N3CCOCC3)c2c1
InChIInChI=1S/C18H19ClN4OS/c19-13-3-4-15-14(10-13)18(22-12-21-15)20-11-16(17-2-1-9-25-17)23-5-7-24-8-6-23/h1-4,9-10,12,16H,5-8,11H2,(H,20,21,22)
InChIKeyAKPBSDSICGTSFA-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.83
Rot. Bonds5

About 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine

6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine (PubChem CID 138988712) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
PubChem CID138988712
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
SMILESClc1ccc2ncnc(NCC(c3cccs3)N3CCOCC3)c2c1
InChIInChI=1S/C18H19ClN4OS/c19-13-3-4-15-14(10-13)18(22-12-21-15)20-11-16(17-2-1-9-25-17)23-5-7-24-8-6-23/h1-4,9-10,12,16H,5-8,11H2,(H,20,21,22)
InChIKeyAKPBSDSICGTSFA-UHFFFAOYSA-N
XLogP3.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine
CID 138988713
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 31910848
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 138988685
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346983
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine (CID 138988712) is 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine is Clc1ccc2ncnc(NCC(c3cccs3)N3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine?
The InChIKey is AKPBSDSICGTSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-13-3-4-15-14(10-13)18(22-12-21-15)20-11-16(17-2-1-9-25-17)23-5-7-24-8-6-23/h1-4,9-10,12,16H,5-8,11H2,(H,20,21,22).
What are the key properties of 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine?
6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine has a molecular weight of 374.90 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 138988712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).