[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol

C31H35N3O3 — CID 159301311

IUPAC[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol
SMILESCc1c(Cc2nccc3cc(CO)cnc23)cccc1-c1cccc(OCCCN2CCOCC2)c1C
InChIInChI=1S/C31H35N3O3/c1-22-25(19-29-31-26(10-11-32-29)18-24(21-35)20-33-31)6-3-7-27(22)28-8-4-9-30(23(28)2)37-15-5-12-34-13-16-36-17-14-34/h3-4,6-11,18,20,35H,5,12-17,19,21H2,1-2H3
InChIKeyUKYZXKFJLMHRPC-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.10
Rot. Bonds9

About [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol

[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol (PubChem CID 159301311) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol.

Molecular Properties

Compound Name[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol
PubChem CID159301311
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC Name[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol
SMILESCc1c(Cc2nccc3cc(CO)cnc23)cccc1-c1cccc(OCCCN2CCOCC2)c1C
InChIInChI=1S/C31H35N3O3/c1-22-25(19-29-31-26(10-11-32-29)18-24(21-35)20-33-31)6-3-7-27(22)28-8-4-9-30(23(28)2)37-15-5-12-34-13-16-36-17-14-34/h3-4,6-11,18,20,35H,5,12-17,19,21H2,1-2H3
InChIKeyUKYZXKFJLMHRPC-UHFFFAOYSA-N
XLogP5.10
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methylamino]acetate;2-[[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methylamino]acetic acid;hydrate
CID 157243157
1-[[8-[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]piperidine-2-carboxylic acid
CID 146304467
1-[[8-[3-[2-cyano-3-(3-morpholin-4-ylpropoxy)phenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]piperidine-2-carboxylic acid
CID 146304581
methyl 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]methylamino]acetate;methyl 2-[[8-[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]anilino]-1,7-naphthyridin-3-yl]methylamino]acetate;4-[3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]morpholine
CID 159638106
tert-butyl 2-[[2-chloro-3-[3-[[3-(hydroxymethyl)-1,7-naphthyridin-8-yl]methyl]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 147914830
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
CID 139756453
(2S)-2-[[2-[[2-chloro-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methoxy]-4,6-dimethoxypyrimidin-5-yl]methylamino]-3-hydroxypropanoic acid
CID 163215233
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
1-[[8-[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropylamino)phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]piperidine-2-carboxylic acid
CID 146304591
2-(dimethylamino)-1-[2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]methyl]-2-methylphenyl]-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
CID 158932429
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272

Frequently Asked Questions

What is the IUPAC name of [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol?
The IUPAC name of [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol (CID 159301311) is [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol.
What is the SMILES notation for [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol?
The canonical SMILES for [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol is Cc1c(Cc2nccc3cc(CO)cnc23)cccc1-c1cccc(OCCCN2CCOCC2)c1C.
What is the InChIKey of [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol?
The InChIKey is UKYZXKFJLMHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-22-25(19-29-31-26(10-11-32-29)18-24(21-35)20-33-31)6-3-7-27(22)28-8-4-9-30(23(28)2)37-15-5-12-34-13-16-36-17-14-34/h3-4,6-11,18,20,35H,5,12-17,19,21H2,1-2H3.
What are the key properties of [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol?
[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol has a molecular weight of 497.64 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol is sourced from PubChem (CID 159301311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).