N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C19H23ClN4O — CID 71830242

IUPACN-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)Nc1cccc(Cl)c1)C2
InChIInChI=1S/C19H23ClN4O/c1-3-24(4-2)19-21-12-14-10-13(8-9-17(14)23-19)18(25)22-16-7-5-6-15(20)11-16/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,22,25)
InChIKeyROAXLMIVLFFUTF-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.72
Rot. Bonds5

About N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71830242) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71830242
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)Nc1cccc(Cl)c1)C2
InChIInChI=1S/C19H23ClN4O/c1-3-24(4-2)19-21-12-14-10-13(8-9-17(14)23-19)18(25)22-16-7-5-6-15(20)11-16/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,22,25)
InChIKeyROAXLMIVLFFUTF-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-phenyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835978
2-(diethylamino)-N-(1-thiophen-2-ylethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835979
2-(diethylamino)-N-[1-(furan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71835973
N-(3-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640413
N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836077
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
(6S)-2-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109298
5-N-(3-chlorophenyl)-3-N-ethyl-3-N-methoxy-4,5,6,7-tetrahydro-1H-indazole-3,5-dicarboxamide
CID 138735934
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 143538535
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71830242) is N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ncc2c(n1)CCC(C(=O)Nc1cccc(Cl)c1)C2.
What is the InChIKey of N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is ROAXLMIVLFFUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-24(4-2)19-21-12-14-10-13(8-9-17(14)23-19)18(25)22-16-7-5-6-15(20)11-16/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(diethylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71830242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).