N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide

C14H15N3O2 — CID 53015892

IUPACN-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
SMILESCCn1cnc2ccc(C(=O)NC3CC3)cc2c1=O
InChIInChI=1S/C14H15N3O2/c1-2-17-8-15-12-6-3-9(7-11(12)14(17)19)13(18)16-10-4-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,16,18)
InChIKeyJYMABJQJENPAQF-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.31
Rot. Bonds3

About N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide

N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide (PubChem CID 53015892) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
PubChem CID53015892
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
SMILESCCn1cnc2ccc(C(=O)NC3CC3)cc2c1=O
InChIInChI=1S/C14H15N3O2/c1-2-17-8-15-12-6-3-9(7-11(12)14(17)19)13(18)16-10-4-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,16,18)
InChIKeyJYMABJQJENPAQF-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide (CID 53015892) is N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide is CCn1cnc2ccc(C(=O)NC3CC3)cc2c1=O.
What is the InChIKey of N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide?
The InChIKey is JYMABJQJENPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-17-8-15-12-6-3-9(7-11(12)14(17)19)13(18)16-10-4-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide?
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 53015892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).