3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide

C29H31ClN4O — CID 83280150

IUPAC3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C29H31ClN4O/c1-21(2)20-31-27(35)17-19-34(18-16-22-10-4-3-5-11-22)29-24-13-7-9-15-26(24)32-28(33-29)23-12-6-8-14-25(23)30/h3-15,21H,16-20H2,1-2H3,(H,31,35)
InChIKeyAJTVRKMOVNVEBF-UHFFFAOYSA-N
MW487.05 g/mol
LogP6.16
Rot. Bonds10

About 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide

3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 83280150) has the molecular formula C29H31ClN4O and a molecular weight of 487.05 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID83280150
Molecular FormulaC29H31ClN4O
Molecular Weight487.05 g/mol
Exact Mass486.22
IUPAC Name3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C29H31ClN4O/c1-21(2)20-31-27(35)17-19-34(18-16-22-10-4-3-5-11-22)29-24-13-7-9-15-26(24)32-28(33-29)23-12-6-8-14-25(23)30/h3-15,21H,16-20H2,1-2H3,(H,31,35)
InChIKeyAJTVRKMOVNVEBF-UHFFFAOYSA-N
XLogP6.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 83281785
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
CID 83273334
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 83282756
N-cyclopropyl-3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-(2-phenylethyl)amino]propanamide
CID 83282770
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300051

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide (CID 83280150) is 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is AJTVRKMOVNVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O/c1-21(2)20-31-27(35)17-19-34(18-16-22-10-4-3-5-11-22)29-24-13-7-9-15-26(24)32-28(33-29)23-12-6-8-14-25(23)30/h3-15,21H,16-20H2,1-2H3,(H,31,35).
What are the key properties of 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide?
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 487.05 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83280150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).