N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide

C19H16ClN3O2 — CID 7593023

IUPACN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)C2CC2)c1
InChIInChI=1S/C19H16ClN3O2/c1-11-21-16-5-3-2-4-14(16)19(25)23(11)13-8-9-15(20)17(10-13)22-18(24)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,22,24)
InChIKeySEHMIAZCNVNADS-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.70
Rot. Bonds3

About N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide

N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide (PubChem CID 7593023) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
PubChem CID7593023
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)C2CC2)c1
InChIInChI=1S/C19H16ClN3O2/c1-11-21-16-5-3-2-4-14(16)19(25)23(11)13-8-9-15(20)17(10-13)22-18(24)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,22,24)
InChIKeySEHMIAZCNVNADS-UHFFFAOYSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide (CID 7593023) is N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide is Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is SEHMIAZCNVNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-11-21-16-5-3-2-4-14(16)19(25)23(11)13-8-9-15(20)17(10-13)22-18(24)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,22,24).
What are the key properties of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide?
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 7593023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).