N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide

C19H22N4O2 — CID 2985635

IUPACN-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
SMILESCCC(=O)Nc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O
InChIInChI=1S/C19H22N4O2/c1-4-18(25)22-19-20-11-15-16(21-19)9-13(10-17(15)24)12-5-7-14(8-6-12)23(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,21,22,25)
InChIKeyCEWXBKKYULVAPU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.80
Rot. Bonds4

About N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide

N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide (PubChem CID 2985635) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide.

Molecular Properties

Compound NameN-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
PubChem CID2985635
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
SMILESCCC(=O)Nc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O
InChIInChI=1S/C19H22N4O2/c1-4-18(25)22-19-20-11-15-16(21-19)9-13(10-17(15)24)12-5-7-14(8-6-12)23(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,21,22,25)
InChIKeyCEWXBKKYULVAPU-UHFFFAOYSA-N
XLogP2.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(7S)-2-(butylamino)-7-[4-(dimethylamino)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7342549
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 3137931
2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 2022304
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 7354512
N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]-2-phenylacetamide
CID 2021087
N-[(7S)-7-(4-tert-butylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2044089
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide?
The IUPAC name of N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide (CID 2985635) is N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide.
What is the SMILES notation for N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide?
The canonical SMILES for N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide is CCC(=O)Nc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O.
What is the InChIKey of N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide?
The InChIKey is CEWXBKKYULVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-18(25)22-19-20-11-15-16(21-19)9-13(10-17(15)24)12-5-7-14(8-6-12)23(2)3/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,21,22,25).
What are the key properties of N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide?
N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(dimethylamino)phenyl]-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide is sourced from PubChem (CID 2985635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).