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

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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).