N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide

C26H26N2O2 — CID 1046640

IUPACN-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCc1cccc2c1N(C(=O)c1cccc(NC(=O)CCc3ccccc3)c1)CCC2
InChIInChI=1S/C26H26N2O2/c1-19-8-5-11-21-13-7-17-28(25(19)21)26(30)22-12-6-14-23(18-22)27-24(29)16-15-20-9-3-2-4-10-20/h2-6,8-12,14,18H,7,13,15-17H2,1H3,(H,27,29)
InChIKeyHPAIDQXPSCXROR-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.16
Rot. Bonds5

About N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide

N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 1046640) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID1046640
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCc1cccc2c1N(C(=O)c1cccc(NC(=O)CCc3ccccc3)c1)CCC2
InChIInChI=1S/C26H26N2O2/c1-19-8-5-11-21-13-7-17-28(25(19)21)26(30)22-12-6-14-23(18-22)27-24(29)16-15-20-9-3-2-4-10-20/h2-6,8-12,14,18H,7,13,15-17H2,1H3,(H,27,29)
InChIKeyHPAIDQXPSCXROR-UHFFFAOYSA-N
XLogP5.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 112835756
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 55773243
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
3-phenyl-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168674
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide (CID 1046640) is N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide is Cc1cccc2c1N(C(=O)c1cccc(NC(=O)CCc3ccccc3)c1)CCC2.
What is the InChIKey of N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is HPAIDQXPSCXROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-8-5-11-21-13-7-17-28(25(19)21)26(30)22-12-6-14-23(18-22)27-24(29)16-15-20-9-3-2-4-10-20/h2-6,8-12,14,18H,7,13,15-17H2,1H3,(H,27,29).
What are the key properties of N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide?
N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 398.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 1046640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).