3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide

C18H17Cl2N3O3 — CID 3245610

IUPAC3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide
SMILESCC(C)NC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O3/c1-10(2)21-16(24)18(26)12-5-3-4-6-15(12)22-17(25)23(18)11-7-8-13(19)14(20)9-11/h3-10,26H,1-2H3,(H,21,24)(H,22,25)
InChIKeyNIWSGEVIXDEOIW-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.72
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide

3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide (PubChem CID 3245610) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide
PubChem CID3245610
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide
SMILESCC(C)NC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O3/c1-10(2)21-16(24)18(26)12-5-3-4-6-15(12)22-17(25)23(18)11-7-8-13(19)14(20)9-11/h3-10,26H,1-2H3,(H,21,24)(H,22,25)
InChIKeyNIWSGEVIXDEOIW-UHFFFAOYSA-N
XLogP3.72
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide (CID 3245610) is 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide is CC(C)NC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide?
The InChIKey is NIWSGEVIXDEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-10(2)21-16(24)18(26)12-5-3-4-6-15(12)22-17(25)23(18)11-7-8-13(19)14(20)9-11/h3-10,26H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide?
3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-N-propan-2-yl-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 3245610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).