N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide

C26H24ClN3O2 — CID 175863163

IUPACN-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](c2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2)C(C)C)cc1
InChIInChI=1S/C26H24ClN3O2/c1-16(2)23(29-25(31)18-11-9-17(3)10-12-18)24-28-22-15-19(27)13-14-21(22)26(32)30(24)20-7-5-4-6-8-20/h4-16,23H,1-3H3,(H,29,31)/t23-/m1/s1
InChIKeyMJFNXWKVEMBCBL-HSZRJFAPSA-N
MW445.95 g/mol
LogP5.47
Rot. Bonds5

About N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide

N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide (PubChem CID 175863163) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
PubChem CID175863163
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](c2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2)C(C)C)cc1
InChIInChI=1S/C26H24ClN3O2/c1-16(2)23(29-25(31)18-11-9-17(3)10-12-18)24-28-22-15-19(27)13-14-21(22)26(32)30(24)20-7-5-4-6-8-20/h4-16,23H,1-3H3,(H,29,31)/t23-/m1/s1
InChIKeyMJFNXWKVEMBCBL-HSZRJFAPSA-N
XLogP5.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N,2-dimethylpropanamide
CID 42720050
[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
CID 7493092
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-1-carboxamide
CID 42720060
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenoxyacetamide
CID 42657601
7-chloro-2-[(1S)-1-(3-methylbutylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 1055158
2-chloro-N-[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylacetamide
CID 1060367
N-benzyl-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
CID 42720138
2-chloro-N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)acetamide
CID 5108411
1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42720149
1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 3536960
3-(2-bromophenyl)-1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4041071

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide (CID 175863163) is N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H](c2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide?
The InChIKey is MJFNXWKVEMBCBL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-16(2)23(29-25(31)18-11-9-17(3)10-12-18)24-28-22-15-19(27)13-14-21(22)26(32)30(24)20-7-5-4-6-8-20/h4-16,23H,1-3H3,(H,29,31)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide?
N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide has a molecular weight of 445.95 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 175863163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).