4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile

C19H16ClN3O2 — CID 10269511

IUPAC4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile
SMILESCOc1ccc(CNc2c(CO)cnc3ccc(C#N)cc23)cc1Cl
InChIInChI=1S/C19H16ClN3O2/c1-25-18-5-3-13(7-16(18)20)9-23-19-14(11-24)10-22-17-4-2-12(8-21)6-15(17)19/h2-7,10,24H,9,11H2,1H3,(H,22,23)
InChIKeyLQZFHIMGHJTVGG-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.87
Rot. Bonds5

About 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile

4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile (PubChem CID 10269511) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile
PubChem CID10269511
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile
SMILESCOc1ccc(CNc2c(CO)cnc3ccc(C#N)cc23)cc1Cl
InChIInChI=1S/C19H16ClN3O2/c1-25-18-5-3-13(7-16(18)20)9-23-19-14(11-24)10-22-17-4-2-12(8-21)6-15(17)19/h2-7,10,24H,9,11H2,1H3,(H,22,23)
InChIKeyLQZFHIMGHJTVGG-UHFFFAOYSA-N
XLogP3.87
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-Dichlorophenyl)amino]-7-methoxyquinoline-3-carbonitrile
CID 5328896
4-[(4-Chloro-5-methoxy-2-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328923
4-(4-Chloro-5-methoxy-2-methylanilino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile
CID 5330443
4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-3-hydroxymethyl-quinoline-6-carbonitrile
CID 10452463
4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-quinoline-6-carbonitrile
CID 22601583
4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-8-ethyl-quinoline-3-carboxylic acid ethyl ester
CID 44287318
Pde5-IN-8
CID 46842025
4-[(3-Chloro-4-methoxyphenyl)methylamino]-8-(dimethylamino)-3-(hydroxymethyl)quinoline-6-carbonitrile
CID 46842169
4-[(3-Chloro-4-methoxyphenyl)methylamino]-8-[2-(dimethylamino)ethylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile
CID 46842171
4-[(3-Chloro-4-methoxyphenyl)methylamino]-8-(cyclopropylamino)-3-(hydroxymethyl)quinoline-6-carbonitrile
CID 46842322
4-[(3-Chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)-8-morpholin-4-ylquinoline-6-carbonitrile
CID 46842324
10-[(3-Chloro-4-methoxybenzyl)amino]-2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-8-carbonitrile
CID 71666278

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile (CID 10269511) is 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile is COc1ccc(CNc2c(CO)cnc3ccc(C#N)cc23)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile?
The InChIKey is LQZFHIMGHJTVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-18-5-3-13(7-16(18)20)9-23-19-14(11-24)10-22-17-4-2-12(8-21)6-15(17)19/h2-7,10,24H,9,11H2,1H3,(H,22,23).
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile?
4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile has a molecular weight of 353.81 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile is sourced from PubChem (CID 10269511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).