1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine

C19H16ClN5 — CID 174985617

IUPAC1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cn(-c3cnc4ccccc4c3)nn2)cc1
InChIInChI=1S/C19H16ClN5/c20-16-7-5-14(6-8-16)10-21-11-17-13-25(24-23-17)18-9-15-3-1-2-4-19(15)22-12-18/h1-9,12-13,21H,10-11H2
InChIKeyXKEWYUQAKHZIPO-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine

1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine (PubChem CID 174985617) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
PubChem CID174985617
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cn(-c3cnc4ccccc4c3)nn2)cc1
InChIInChI=1S/C19H16ClN5/c20-16-7-5-14(6-8-16)10-21-11-17-13-25(24-23-17)18-9-15-3-1-2-4-19(15)22-12-18/h1-9,12-13,21H,10-11H2
InChIKeyXKEWYUQAKHZIPO-UHFFFAOYSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine
CID 174985661
2-methyl-N-[(1-quinolin-6-yltriazol-4-yl)methyl]propan-2-amine
CID 66206720
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
[3-[[1-(4-chlorophenyl)triazol-4-yl]methylamino]phenyl]methanol
CID 75516751
3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 174498519
6-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62634784
trans-(1R,2S)-2-(3,4-difluorophenyl)-N-[(1-quinolin-6-yltriazol-4-yl)methyl]cyclopropan-1-amine
CID 177380467
N-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]ethanamine
CID 66207281
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
CID 60924752
3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
CID 106220432
dimethyl-[2-[4-(4-quinolin-3-yltriazol-1-yl)phenyl]ethyl]arsane
CID 174915040

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine (CID 174985617) is 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine is Clc1ccc(CNCc2cn(-c3cnc4ccccc4c3)nn2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
The InChIKey is XKEWYUQAKHZIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-16-7-5-14(6-8-16)10-21-11-17-13-25(24-23-17)18-9-15-3-1-2-4-19(15)22-12-18/h1-9,12-13,21H,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine has a molecular weight of 349.83 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-quinolin-3-yltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 174985617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).