N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide

C24H29ClN4O — CID 93140373

IUPACN-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
SMILESCCCN(CCC(=O)N[C@H](C)CC)c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H29ClN4O/c1-4-15-29(16-14-22(30)26-17(3)5-2)24-19-11-7-9-13-21(19)27-23(28-24)18-10-6-8-12-20(18)25/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,30)/t17-/m1/s1
InChIKeyDZONRPQIGAEGLW-QGZVFWFLSA-N
MW424.98 g/mol
LogP5.47
Rot. Bonds9

About N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide

N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide (PubChem CID 93140373) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
PubChem CID93140373
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
SMILESCCCN(CCC(=O)N[C@H](C)CC)c1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H29ClN4O/c1-4-15-29(16-14-22(30)26-17(3)5-2)24-19-11-7-9-13-21(19)27-23(28-24)18-10-6-8-12-20(18)25/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,30)/t17-/m1/s1
InChIKeyDZONRPQIGAEGLW-QGZVFWFLSA-N
XLogP5.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 55.47
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
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]-N-(furan-2-ylmethyl)propanamide
CID 83273334
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 83280150
3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-butan-2-ylpropanamide
CID 83281449
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83288989
N-butan-2-yl-2-(2-chlorophenyl)quinazolin-4-amine
CID 23796400
N-[(2S)-butan-2-yl]-3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methoxyethyl)amino]propanamide
CID 93299995
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
CID 42809423
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)-propylamino]-N-propan-2-ylpropanamide
CID 83281775
1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one
CID 42809522
3-[[2-(furan-2-yl)quinazolin-4-yl]-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]propanamide
CID 93300001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide (CID 93140373) is N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide is CCCN(CCC(=O)N[C@H](C)CC)c1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide?
The InChIKey is DZONRPQIGAEGLW-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-4-15-29(16-14-22(30)26-17(3)5-2)24-19-11-7-9-13-21(19)27-23(28-24)18-10-6-8-12-20(18)25/h6-13,17H,4-5,14-16H2,1-3H3,(H,26,30)/t17-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide?
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide has a molecular weight of 424.98 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide is sourced from PubChem (CID 93140373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).