N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H24N2O2 — CID 97314752

IUPACN-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@]1(NC(=O)c2cc3c([nH]c2=O)CCCC3)CCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-21(12-6-9-14-7-2-4-10-17(14)21)23-20(25)16-13-15-8-3-5-11-18(15)22-19(16)24/h2,4,7,10,13H,3,5-6,8-9,11-12H2,1H3,(H,22,24)(H,23,25)/t21-/m0/s1
InChIKeyDVUDEQKROKJMAI-NRFANRHFSA-N
MW336.44 g/mol
LogP3.24
Rot. Bonds2

About N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 97314752) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID97314752
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@]1(NC(=O)c2cc3c([nH]c2=O)CCCC3)CCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c1-21(12-6-9-14-7-2-4-10-17(14)21)23-20(25)16-13-15-8-3-5-11-18(15)22-19(16)24/h2,4,7,10,13H,3,5-6,8-9,11-12H2,1H3,(H,22,24)(H,23,25)/t21-/m0/s1
InChIKeyDVUDEQKROKJMAI-NRFANRHFSA-N
XLogP3.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 97314752) is N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C[C@]1(NC(=O)c2cc3c([nH]c2=O)CCCC3)CCCc2ccccc21.
What is the InChIKey of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is DVUDEQKROKJMAI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(12-6-9-14-7-2-4-10-17(14)21)23-20(25)16-13-15-8-3-5-11-18(15)22-19(16)24/h2,4,7,10,13H,3,5-6,8-9,11-12H2,1H3,(H,22,24)(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 97314752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).