N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide

C19H25N3O2 — CID 3240707

IUPACN-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide
SMILESCCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1
InChIInChI=1S/C19H25N3O2/c1-3-6-14-9-11-15(12-10-14)18(23)21-22-13(2)20-17-8-5-4-7-16(17)19(22)24/h4-5,7-8,14-15H,3,6,9-12H2,1-2H3,(H,21,23)
InChIKeyKOQHXILHSKRJPP-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.38
Rot. Bonds4

About N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide

N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide (PubChem CID 3240707) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide
PubChem CID3240707
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide
SMILESCCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1
InChIInChI=1S/C19H25N3O2/c1-3-6-14-9-11-15(12-10-14)18(23)21-22-13(2)20-17-8-5-4-7-16(17)19(22)24/h4-5,7-8,14-15H,3,6,9-12H2,1-2H3,(H,21,23)
InChIKeyKOQHXILHSKRJPP-UHFFFAOYSA-N
XLogP3.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide (CID 3240707) is N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide is CCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1.
What is the InChIKey of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
The InChIKey is KOQHXILHSKRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-6-14-9-11-15(12-10-14)18(23)21-22-13(2)20-17-8-5-4-7-16(17)19(22)24/h4-5,7-8,14-15H,3,6,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 3240707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).