1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol

C26H25ClN2O2 — CID 145464823

IUPAC1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
SMILESCCCc1ccc(-c2ccc(-c3nc4ccncc4c(C(C)=O)c3Cl)cc2)cc1.CO
InChIInChI=1S/C25H21ClN2O.CH4O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)25-24(26)23(16(2)29)21-15-27-14-13-22(21)28-25;1-2/h5-15H,3-4H2,1-2H3;2H,1H3
InChIKeyUKEONRCHPTXRII-UHFFFAOYSA-N
MW432.95 g/mol
LogP6.38
Rot. Bonds5

About 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol

1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol (PubChem CID 145464823) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol.

Molecular Properties

Compound Name1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
PubChem CID145464823
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol
SMILESCCCc1ccc(-c2ccc(-c3nc4ccncc4c(C(C)=O)c3Cl)cc2)cc1.CO
InChIInChI=1S/C25H21ClN2O.CH4O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)25-24(26)23(16(2)29)21-15-27-14-13-22(21)28-25;1-2/h5-15H,3-4H2,1-2H3;2H,1H3
InChIKeyUKEONRCHPTXRII-UHFFFAOYSA-N
XLogP6.38
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-2-[4-[4-(3-hydroxypropyl)phenyl]phenyl]-3-methyl-1,6-naphthyridine-4-carboxamide
CID 25063249
N-hydroxy-2-[4-[2-[4-(3-hydroxypropyl)phenyl]ethynyl]phenyl]-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25059854
2-[4-[4-[(cyanomethylamino)methyl]phenyl]phenyl]-N-hydroxy-3-methoxy-1,6-naphthyridine-4-carboxamide
CID 25061912
butane;1-[2-[4-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-1-ynyl]phenyl]-3-methoxy-1,6-naphthyridin-4-yl]ethanone;ethane
CID 145465402
4-[4-(3,4-dimethyl-1,6-naphthyridin-2-yl)phenyl]-N-ethylaniline
CID 145465310
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
CID 8966267
N-[(4-butylphenyl)methyl]-4-(4-ethenyl-3-methyl-1,6-naphthyridin-2-yl)aniline;ethane
CID 145465344
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
5-(4-propylphenyl)pyrimidine
CID 89220429
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465274
4-chloro-2-methyl-6-(4-propylphenyl)pyrimidine-5-carbaldehyde
CID 80725406

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol?
The IUPAC name of 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol (CID 145464823) is 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol.
What is the SMILES notation for 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol?
The canonical SMILES for 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol is CCCc1ccc(-c2ccc(-c3nc4ccncc4c(C(C)=O)c3Cl)cc2)cc1.CO.
What is the InChIKey of 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol?
The InChIKey is UKEONRCHPTXRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O.CH4O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)25-24(26)23(16(2)29)21-15-27-14-13-22(21)28-25;1-2/h5-15H,3-4H2,1-2H3;2H,1H3.
What are the key properties of 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol?
1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol has a molecular weight of 432.95 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[4-(4-propylphenyl)phenyl]-1,6-naphthyridin-4-yl]ethanone;methanol is sourced from PubChem (CID 145464823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).