N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide

C24H26N2O2 — CID 1116791

IUPACN-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide
SMILESC[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1
InChIInChI=1S/C24H26N2O2/c1-16-15-22(26(24(28)18-13-14-18)19-7-3-2-4-8-19)20-9-5-6-10-21(20)25(16)23(27)17-11-12-17/h2-10,16-18,22H,11-15H2,1H3/t16-,22-/m0/s1
InChIKeyKNWDGZUFTMYBGN-AOMKIAJQSA-N
MW374.48 g/mol
LogP4.71
Rot. Bonds4

About N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide

N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide (PubChem CID 1116791) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide
PubChem CID1116791
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide
SMILESC[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1
InChIInChI=1S/C24H26N2O2/c1-16-15-22(26(24(28)18-13-14-18)19-7-3-2-4-8-19)20-9-5-6-10-21(20)25(16)23(27)17-11-12-17/h2-10,16-18,22H,11-15H2,1H3/t16-,22-/m0/s1
InChIKeyKNWDGZUFTMYBGN-AOMKIAJQSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,4R)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 41384880
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
4-chloro-N-[(2R,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 41384920
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 6581246
N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
CID 142882860
2,2,2-trifluoro-N-[(2R,4R)-2-methyl-1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1379548
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide?
The IUPAC name of N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide (CID 1116791) is N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide.
What is the SMILES notation for N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide?
The canonical SMILES for N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide is C[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1.
What is the InChIKey of N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide?
The InChIKey is KNWDGZUFTMYBGN-AOMKIAJQSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-15-22(26(24(28)18-13-14-18)19-7-3-2-4-8-19)20-9-5-6-10-21(20)25(16)23(27)17-11-12-17/h2-10,16-18,22H,11-15H2,1H3/t16-,22-/m0/s1.
What are the key properties of N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide?
N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide has a molecular weight of 374.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylcyclopropanecarboxamide is sourced from PubChem (CID 1116791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).