7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine

C19H23ClN6O — CID 122183487

IUPAC7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCCN4CCOCC4)nn3)ccnc2c1
InChIInChI=1S/C19H23ClN6O/c20-15-2-3-17-18(4-5-21-19(17)12-15)22-13-16-14-26(24-23-16)7-1-6-25-8-10-27-11-9-25/h2-5,12,14H,1,6-11,13H2,(H,21,22)
InChIKeyUDUAVTZNQGNGQP-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.81
Rot. Bonds7

About 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine

7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine (PubChem CID 122183487) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
PubChem CID122183487
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCCN4CCOCC4)nn3)ccnc2c1
InChIInChI=1S/C19H23ClN6O/c20-15-2-3-17-18(4-5-21-19(17)12-15)22-13-16-14-26(24-23-16)7-1-6-25-8-10-27-11-9-25/h2-5,12,14H,1,6-11,13H2,(H,21,22)
InChIKeyUDUAVTZNQGNGQP-UHFFFAOYSA-N
XLogP2.81
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine (CID 122183487) is 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3cn(CCCN4CCOCC4)nn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
The InChIKey is UDUAVTZNQGNGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c20-15-2-3-17-18(4-5-21-19(17)12-15)22-13-16-14-26(24-23-16)7-1-6-25-8-10-27-11-9-25/h2-5,12,14H,1,6-11,13H2,(H,21,22).
What are the key properties of 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine has a molecular weight of 386.89 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 122183487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).