(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C20H32N2O2 — CID 164641843

IUPAC(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCC(C)CCNC(=O)[C@@]12CCCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C20H32N2O2/c1-15(2)11-14-21-19(24)20-12-6-5-9-17(20)22(18(23)10-13-20)16-7-3-4-8-16/h9,15-16H,3-8,10-14H2,1-2H3,(H,21,24)/t20-/m1/s1
InChIKeyJWQGKBLVUQNCHF-HXUWFJFHSA-N
MW332.49 g/mol
LogP3.77
Rot. Bonds5

About (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 164641843) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID164641843
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCC(C)CCNC(=O)[C@@]12CCCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C20H32N2O2/c1-15(2)11-14-21-19(24)20-12-6-5-9-17(20)22(18(23)10-13-20)16-7-3-4-8-16/h9,15-16H,3-8,10-14H2,1-2H3,(H,21,24)/t20-/m1/s1
InChIKeyJWQGKBLVUQNCHF-HXUWFJFHSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 164641843) is (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CC(C)CCNC(=O)[C@@]12CCCC=C1N(C1CCCC1)C(=O)CC2.
What is the InChIKey of (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is JWQGKBLVUQNCHF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(2)11-14-21-19(24)20-12-6-5-9-17(20)22(18(23)10-13-20)16-7-3-4-8-16/h9,15-16H,3-8,10-14H2,1-2H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 164641843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).