4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide

C20H21ClN4O2 — CID 158319188

IUPAC4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
SMILESCCC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-3-5-17(12-6-4-7-13(21)8-12)25-20-16-10-14(27-2)9-15(19(22)26)18(16)23-11-24-20/h4,6-11,17H,3,5H2,1-2H3,(H2,22,26)(H,23,24,25)/t17-/m1/s1
InChIKeyGOQBHWJEXCPOKY-QGZVFWFLSA-N
MW384.87 g/mol
LogP4.34
Rot. Bonds7

About 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide

4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide (PubChem CID 158319188) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
PubChem CID158319188
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
SMILESCCC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-3-5-17(12-6-4-7-13(21)8-12)25-20-16-10-14(27-2)9-15(19(22)26)18(16)23-11-24-20/h4,6-11,17H,3,5H2,1-2H3,(H2,22,26)(H,23,24,25)/t17-/m1/s1
InChIKeyGOQBHWJEXCPOKY-QGZVFWFLSA-N
XLogP4.34
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide with MolForge

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Related Compounds

4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869452
4-[[1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide
CID 159201934
4-[[4-hydroxy-1-[3-[(4-methoxybenzoyl)amino]phenyl]butyl]amino]quinazoline-8-carboxamide
CID 66763084
4-[[(1S)-2-(dimethylamino)-1-(3-fluorophenyl)ethyl]amino]-6-methoxyquinazoline-8-carboxylic acid
CID 140638619
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
4-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butyl]amino]pyrido[3,4-d]pyrimidine-8-carboxamide
CID 159617094
4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
4-[[3-(but-3-enylamino)-1-[3-[(4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66763853
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 56651607

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide?
The IUPAC name of 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide (CID 158319188) is 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide is CCC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1.
What is the InChIKey of 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide?
The InChIKey is GOQBHWJEXCPOKY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-3-5-17(12-6-4-7-13(21)8-12)25-20-16-10-14(27-2)9-15(19(22)26)18(16)23-11-24-20/h4,6-11,17H,3,5H2,1-2H3,(H2,22,26)(H,23,24,25)/t17-/m1/s1.
What are the key properties of 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide?
4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide is sourced from PubChem (CID 158319188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).