7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine

C24H23ClN4 — CID 70920436

IUPAC7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine
SMILESCN(Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)Cc1ccccn1
InChIInChI=1S/C24H23ClN4/c1-29(17-21-7-2-3-11-26-21)16-19-6-4-5-18(13-19)15-28-23-10-12-27-24-14-20(25)8-9-22(23)24/h2-14H,15-17H2,1H3,(H,27,28)
InChIKeyHNOYNCXOTWKIOQ-UHFFFAOYSA-N
MW402.93 g/mol
LogP5.53
Rot. Bonds7

About 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine

7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine (PubChem CID 70920436) has the molecular formula C24H23ClN4 and a molecular weight of 402.93 g/mol. Its IUPAC name is 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine
PubChem CID70920436
Molecular FormulaC24H23ClN4
Molecular Weight402.93 g/mol
Exact Mass402.16
IUPAC Name7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine
SMILESCN(Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)Cc1ccccn1
InChIInChI=1S/C24H23ClN4/c1-29(17-21-7-2-3-11-26-21)16-19-6-4-5-18(13-19)15-28-23-10-12-27-24-14-20(25)8-9-22(23)24/h2-14H,15-17H2,1H3,(H,27,28)
InChIKeyHNOYNCXOTWKIOQ-UHFFFAOYSA-N
XLogP5.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine (CID 70920436) is 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine is CN(Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)Cc1ccccn1.
What is the InChIKey of 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is HNOYNCXOTWKIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4/c1-29(17-21-7-2-3-11-26-21)16-19-6-4-5-18(13-19)15-28-23-10-12-27-24-14-20(25)8-9-22(23)24/h2-14H,15-17H2,1H3,(H,27,28).
What are the key properties of 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine?
7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 402.93 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 70920436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).