3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal

C25H27N3O — CID 89062883

IUPAC3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal
SMILESCc1nc(NCc2ccc3c(c2)N(c2ccccc2)CCC3)ccc1CCC=O
InChIInChI=1S/C25H27N3O/c1-19-21(8-6-16-29)13-14-25(27-19)26-18-20-11-12-22-7-5-15-28(24(22)17-20)23-9-3-2-4-10-23/h2-4,9-14,16-17H,5-8,15,18H2,1H3,(H,26,27)
InChIKeyPGXHPHJWFBHYLX-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.22
Rot. Bonds7

About 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal

3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal (PubChem CID 89062883) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal
PubChem CID89062883
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal
SMILESCc1nc(NCc2ccc3c(c2)N(c2ccccc2)CCC3)ccc1CCC=O
InChIInChI=1S/C25H27N3O/c1-19-21(8-6-16-29)13-14-25(27-19)26-18-20-11-12-22-7-5-15-28(24(22)17-20)23-9-3-2-4-10-23/h2-4,9-14,16-17H,5-8,15,18H2,1H3,(H,26,27)
InChIKeyPGXHPHJWFBHYLX-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-[6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanoate
CID 59368767
3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
CID 89062923
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate
CID 141205583
3-[4-[[1-(4-chlorophenyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methylamino]-2-fluorophenyl]propanal
CID 89063059
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
[6-(benzylamino)-2-methyl-3-pyridinyl]methanol
CID 102546130
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
CID 122035144
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal?
The IUPAC name of 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal (CID 89062883) is 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal.
What is the SMILES notation for 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal?
The canonical SMILES for 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal is Cc1nc(NCc2ccc3c(c2)N(c2ccccc2)CCC3)ccc1CCC=O.
What is the InChIKey of 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal?
The InChIKey is PGXHPHJWFBHYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-19-21(8-6-16-29)13-14-25(27-19)26-18-20-11-12-22-7-5-15-28(24(22)17-20)23-9-3-2-4-10-23/h2-4,9-14,16-17H,5-8,15,18H2,1H3,(H,26,27).
What are the key properties of 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal?
3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal has a molecular weight of 385.51 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal is sourced from PubChem (CID 89062883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).