N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide

C17H21N3O3 — CID 78340801

IUPACN-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide
SMILESO=C(CCN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3/c21-15(18-12-6-2-1-3-7-12)10-11-20-16(22)13-8-4-5-9-14(13)19-17(20)23/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,21)
InChIKeyNDQVTXJBFWBVGA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.97
Rot. Bonds4

About N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide

N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide (PubChem CID 78340801) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide
PubChem CID78340801
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide
SMILESO=C(CCN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3/c21-15(18-12-6-2-1-3-7-12)10-11-20-16(22)13-8-4-5-9-14(13)19-17(20)23/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,21)
InChIKeyNDQVTXJBFWBVGA-UHFFFAOYSA-N
XLogP1.97
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide (CID 78340801) is N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide is O=C(CCN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide?
The InChIKey is NDQVTXJBFWBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(18-12-6-2-1-3-7-12)10-11-20-16(22)13-8-4-5-9-14(13)19-17(20)23/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,21).
What are the key properties of N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide?
N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide is sourced from PubChem (CID 78340801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).