5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide

C23H35N3O2 — CID 59822473

IUPAC5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide
SMILESCC1=CC=CC2C1C=C(C(=O)NCC1CCN(C(C)C)CC1)C(=O)N2C(C)C
InChIInChI=1S/C23H35N3O2/c1-15(2)25-11-9-18(10-12-25)14-24-22(27)20-13-19-17(5)7-6-8-21(19)26(16(3)4)23(20)28/h6-8,13,15-16,18-19,21H,9-12,14H2,1-5H3,(H,24,27)
InChIKeySSFVCDAIWWJTMC-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.90
Rot. Bonds5

About 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide

5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide (PubChem CID 59822473) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide
PubChem CID59822473
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide
SMILESCC1=CC=CC2C1C=C(C(=O)NCC1CCN(C(C)C)CC1)C(=O)N2C(C)C
InChIInChI=1S/C23H35N3O2/c1-15(2)25-11-9-18(10-12-25)14-24-22(27)20-13-19-17(5)7-6-8-21(19)26(16(3)4)23(20)28/h6-8,13,15-16,18-19,21H,9-12,14H2,1-5H3,(H,24,27)
InChIKeySSFVCDAIWWJTMC-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-(cyclopropylmethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422510
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 60598287
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
CID 61216005
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801083
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801223
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide (CID 59822473) is 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide is CC1=CC=CC2C1C=C(C(=O)NCC1CCN(C(C)C)CC1)C(=O)N2C(C)C.
What is the InChIKey of 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide?
The InChIKey is SSFVCDAIWWJTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-15(2)25-11-9-18(10-12-25)14-24-22(27)20-13-19-17(5)7-6-8-21(19)26(16(3)4)23(20)28/h6-8,13,15-16,18-19,21H,9-12,14H2,1-5H3,(H,24,27).
What are the key properties of 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide?
5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-1-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4a,8a-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 59822473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).