N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide

C23H24N4O3 — CID 50844589

IUPACN-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)Cn2cnc3cc(C(=O)NCC4CC4)ccc3c2=O)c1
InChIInChI=1S/C23H24N4O3/c1-14-3-4-15(2)19(9-14)26-21(28)12-27-13-25-20-10-17(7-8-18(20)23(27)30)22(29)24-11-16-5-6-16/h3-4,7-10,13,16H,5-6,11-12H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyRVVWECQHHKPYOY-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.79
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide

N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 50844589) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
PubChem CID50844589
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)Cn2cnc3cc(C(=O)NCC4CC4)ccc3c2=O)c1
InChIInChI=1S/C23H24N4O3/c1-14-3-4-15(2)19(9-14)26-21(28)12-27-13-25-20-10-17(7-8-18(20)23(27)30)22(29)24-11-16-5-6-16/h3-4,7-10,13,16H,5-6,11-12H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyRVVWECQHHKPYOY-UHFFFAOYSA-N
XLogP2.79
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 50844530
N-butyl-3-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
CID 46397311
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide
CID 88582092
3-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-oxo-N-propylquinazoline-7-carboxamide
CID 50844404
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
CID 24528411
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
2-methyl-N-[4-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 55708476

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide (CID 50844589) is N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide is Cc1ccc(C)c(NC(=O)Cn2cnc3cc(C(=O)NCC4CC4)ccc3c2=O)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is RVVWECQHHKPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-3-4-15(2)19(9-14)26-21(28)12-27-13-25-20-10-17(7-8-18(20)23(27)30)22(29)24-11-16-5-6-16/h3-4,7-10,13,16H,5-6,11-12H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide?
N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 50844589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).