(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide

C24H30N2O3 — CID 129345342

IUPAC(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
SMILESCc1cc(CN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C2CCCC2)c2ccccc2n1
InChIInChI=1S/C24H30N2O3/c1-16-12-17(20-8-4-5-9-22(20)25-16)13-26(19-6-2-3-7-19)24(27)23-21-10-11-28-14-18(21)15-29-23/h4-5,8-9,12,18-19,21,23H,2-3,6-7,10-11,13-15H2,1H3/t18-,21+,23-/m1/s1
InChIKeyVZSVWEYSMLYTLN-RZFNWQHOSA-N
MW394.52 g/mol
LogP3.87
Rot. Bonds4

About (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide

(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide (PubChem CID 129345342) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide.

Molecular Properties

Compound Name(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
PubChem CID129345342
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
SMILESCc1cc(CN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C2CCCC2)c2ccccc2n1
InChIInChI=1S/C24H30N2O3/c1-16-12-17(20-8-4-5-9-22(20)25-16)13-26(19-6-2-3-7-19)24(27)23-21-10-11-28-14-18(21)15-29-23/h4-5,8-9,12,18-19,21,23H,2-3,6-7,10-11,13-15H2,1H3/t18-,21+,23-/m1/s1
InChIKeyVZSVWEYSMLYTLN-RZFNWQHOSA-N
XLogP3.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide
CID 127315953
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[4-[(2-methylquinolin-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167833631
N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
CID 102860146
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798
4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
CID 111457060
2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667
1-cyclopropyl-2-[methyl-[(2-methylquinolin-4-yl)methyl]amino]ethanol
CID 111858846
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091

Frequently Asked Questions

What is the IUPAC name of (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
The IUPAC name of (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide (CID 129345342) is (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide.
What is the SMILES notation for (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
The canonical SMILES for (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide is Cc1cc(CN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C2CCCC2)c2ccccc2n1.
What is the InChIKey of (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
The InChIKey is VZSVWEYSMLYTLN-RZFNWQHOSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-12-17(20-8-4-5-9-22(20)25-16)13-26(19-6-2-3-7-19)24(27)23-21-10-11-28-14-18(21)15-29-23/h4-5,8-9,12,18-19,21,23H,2-3,6-7,10-11,13-15H2,1H3/t18-,21+,23-/m1/s1.
What are the key properties of (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide?
(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide is sourced from PubChem (CID 129345342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).