3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide

C19H19ClN4O2 — CID 39039907

IUPAC3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C19H19ClN4O2/c1-23(2)9-8-21-18(25)13-6-7-16-17(10-13)22-12-24(19(16)26)15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,25)
InChIKeyIXOLOYMUOZHPDS-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.33
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide

3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 39039907) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
PubChem CID39039907
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1
InChIInChI=1S/C19H19ClN4O2/c1-23(2)9-8-21-18(25)13-6-7-16-17(10-13)22-12-24(19(16)26)15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,25)
InChIKeyIXOLOYMUOZHPDS-UHFFFAOYSA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
5-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584
4-benzyl-2-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836108
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 39333619
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4597377

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide (CID 39039907) is 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide is CN(C)CCNC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)cnc2c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is IXOLOYMUOZHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-23(2)9-8-21-18(25)13-6-7-16-17(10-13)22-12-24(19(16)26)15-5-3-4-14(20)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,25).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide?
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 39039907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).