3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide

C29H31ClN4O — CID 93300051

IUPAC3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESCC(C)CN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccccc2)nc2cc(Cl)ccc12
InChIInChI=1S/C29H31ClN4O/c1-20(2)19-34(17-16-27(35)31-21(3)22-10-6-4-7-11-22)29-25-15-14-24(30)18-26(25)32-28(33-29)23-12-8-5-9-13-23/h4-15,18,20-21H,16-17,19H2,1-3H3,(H,31,35)/t21-/m1/s1
InChIKeyJOXDQYLNJVEREF-OAQYLSRUSA-N
MW487.05 g/mol
LogP6.68
Rot. Bonds9

About 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide

3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 93300051) has the molecular formula C29H31ClN4O and a molecular weight of 487.05 g/mol. Its IUPAC name is 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID93300051
Molecular FormulaC29H31ClN4O
Molecular Weight487.05 g/mol
Exact Mass486.22
IUPAC Name3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide
SMILESCC(C)CN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccccc2)nc2cc(Cl)ccc12
InChIInChI=1S/C29H31ClN4O/c1-20(2)19-34(17-16-27(35)31-21(3)22-10-6-4-7-11-22)29-25-15-14-24(30)18-26(25)32-28(33-29)23-12-8-5-9-13-23/h4-15,18,20-21H,16-17,19H2,1-3H3,(H,31,35)/t21-/m1/s1
InChIKeyJOXDQYLNJVEREF-OAQYLSRUSA-N
XLogP6.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide with MolForge

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Related Compounds

3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809604
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-[(1S)-1-phenylethyl]propanamide
CID 93299874
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
N-(furan-2-ylmethyl)-3-[2-methylpropyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 46133910
3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]-N-(4-methoxyphenyl)propanamide
CID 42809628
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113143785
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2087664
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide (CID 93300051) is 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide is CC(C)CN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(-c2ccccc2)nc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is JOXDQYLNJVEREF-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H31ClN4O/c1-20(2)19-34(17-16-27(35)31-21(3)22-10-6-4-7-11-22)29-25-15-14-24(30)18-26(25)32-28(33-29)23-12-8-5-9-13-23/h4-15,18,20-21H,16-17,19H2,1-3H3,(H,31,35)/t21-/m1/s1.
What are the key properties of 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide?
3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 487.05 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-2-phenylquinazolin-4-yl)-(2-methylpropyl)amino]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 93300051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).