N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline

C23H18N6 — CID 44565196

IUPACN-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline
SMILESc1ccc(-c2cn(-c3ccc4ccccc4n3)nn2)c(NCc2ccncc2)c1
InChIInChI=1S/C23H18N6/c1-3-7-20-18(5-1)9-10-23(26-20)29-16-22(27-28-29)19-6-2-4-8-21(19)25-15-17-11-13-24-14-12-17/h1-14,16,25H,15H2
InChIKeyHOSSHWBHVBXAGD-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.49
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline

N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline (PubChem CID 44565196) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline
PubChem CID44565196
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC NameN-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline
SMILESc1ccc(-c2cn(-c3ccc4ccccc4n3)nn2)c(NCc2ccncc2)c1
InChIInChI=1S/C23H18N6/c1-3-7-20-18(5-1)9-10-23(26-20)29-16-22(27-28-29)19-6-2-4-8-21(19)25-15-17-11-13-24-14-12-17/h1-14,16,25H,15H2
InChIKeyHOSSHWBHVBXAGD-UHFFFAOYSA-N
XLogP4.49
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Akn-028
CID 44177328
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Florquinitau
CID 118577045
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
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A-83-01
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6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
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2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline (CID 44565196) is N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline is c1ccc(-c2cn(-c3ccc4ccccc4n3)nn2)c(NCc2ccncc2)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline?
The InChIKey is HOSSHWBHVBXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c1-3-7-20-18(5-1)9-10-23(26-20)29-16-22(27-28-29)19-6-2-4-8-21(19)25-15-17-11-13-24-14-12-17/h1-14,16,25H,15H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline?
N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline has a molecular weight of 378.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(1-quinolin-2-yltriazol-4-yl)aniline is sourced from PubChem (CID 44565196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).