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

C18H23N3O2 — CID 3242021

IUPACN-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide
SMILESCCCC1CCC(C(=O)Nn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C18H23N3O2/c1-2-5-13-8-10-14(11-9-13)17(22)20-21-12-19-16-7-4-3-6-15(16)18(21)23/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,20,22)
InChIKeyKPXHYZHEEOGXJP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.07
Rot. Bonds4

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

N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide (PubChem CID 3242021) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide
PubChem CID3242021
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide
SMILESCCCC1CCC(C(=O)Nn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C18H23N3O2/c1-2-5-13-8-10-14(11-9-13)17(22)20-21-12-19-16-7-4-3-6-15(16)18(21)23/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,20,22)
InChIKeyKPXHYZHEEOGXJP-UHFFFAOYSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide (CID 3242021) is N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide is CCCC1CCC(C(=O)Nn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
The InChIKey is KPXHYZHEEOGXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-5-13-8-10-14(11-9-13)17(22)20-21-12-19-16-7-4-3-6-15(16)18(21)23/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,20,22).
What are the key properties of N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide?
N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxoquinazolin-3-yl)-4-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 3242021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).