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

C18H15Cl2N3O3 — CID 3245305

IUPACN-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESO=C1Nc2ccccc2C(O)(C(=O)NC2CC2)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-8-7-11(9-14(13)20)23-17(25)22-15-4-2-1-3-12(15)18(23,26)16(24)21-10-5-6-10/h1-4,7-10,26H,5-6H2,(H,21,24)(H,22,25)
InChIKeyJKXNEWQEOGIYSJ-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.47
Rot. Bonds3

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

N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 3245305) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID3245305
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESO=C1Nc2ccccc2C(O)(C(=O)NC2CC2)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-8-7-11(9-14(13)20)23-17(25)22-15-4-2-1-3-12(15)18(23,26)16(24)21-10-5-6-10/h1-4,7-10,26H,5-6H2,(H,21,24)(H,22,25)
InChIKeyJKXNEWQEOGIYSJ-UHFFFAOYSA-N
XLogP3.47
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (CID 3245305) is N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is O=C1Nc2ccccc2C(O)(C(=O)NC2CC2)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is JKXNEWQEOGIYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-13-8-7-11(9-14(13)20)23-17(25)22-15-4-2-1-3-12(15)18(23,26)16(24)21-10-5-6-10/h1-4,7-10,26H,5-6H2,(H,21,24)(H,22,25).
What are the key properties of N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 3245305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).