3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide

C21H25N5O2 — CID 165388803

IUPAC3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C21H25N5O2/c1-3-25(4-2)15-14-22-20(27)19-23-18-13-9-8-12-17(18)21(28)26(19)24-16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3,(H,22,27)
InChIKeyOZCRLZMWRHEOKS-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.34
Rot. Bonds8

About 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide

3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide (PubChem CID 165388803) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound Name3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide
PubChem CID165388803
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc2ccccc2c(=O)n1Nc1ccccc1
InChIInChI=1S/C21H25N5O2/c1-3-25(4-2)15-14-22-20(27)19-23-18-13-9-8-12-17(18)21(28)26(19)24-16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3,(H,22,27)
InChIKeyOZCRLZMWRHEOKS-UHFFFAOYSA-N
XLogP2.34
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-4-oxoquinazoline-2-carboxamide
CID 165388811
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(2-hydroxyethyl)-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39377679
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513
2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 17420196
3-anilino-2-chloroquinazolin-4-one
CID 141230823
N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39313481
N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide
CID 21004036
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 45490612

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide?
The IUPAC name of 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide (CID 165388803) is 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide is CCN(CC)CCNC(=O)c1nc2ccccc2c(=O)n1Nc1ccccc1.
What is the InChIKey of 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide?
The InChIKey is OZCRLZMWRHEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-25(4-2)15-14-22-20(27)19-23-18-13-9-8-12-17(18)21(28)26(19)24-16-10-6-5-7-11-16/h5-13,24H,3-4,14-15H2,1-2H3,(H,22,27).
What are the key properties of 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide?
3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 165388803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).