7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine

C19H22ClN5O2 — CID 53375667

IUPAC7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCn3cc(COC4CCCCO4)nn3)ccnc2c1
InChIInChI=1S/C19H22ClN5O2/c20-14-4-5-16-17(6-7-21-18(16)11-14)22-8-9-25-12-15(23-24-25)13-27-19-3-1-2-10-26-19/h4-7,11-12,19H,1-3,8-10,13H2,(H,21,22)
InChIKeyYFLQDXZFILIZAK-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.63
Rot. Bonds7

About 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine

7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine (PubChem CID 53375667) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine
PubChem CID53375667
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCn3cc(COC4CCCCO4)nn3)ccnc2c1
InChIInChI=1S/C19H22ClN5O2/c20-14-4-5-16-17(6-7-21-18(16)11-14)22-8-9-25-12-15(23-24-25)13-27-19-3-1-2-10-26-19/h4-7,11-12,19H,1-3,8-10,13H2,(H,21,22)
InChIKeyYFLQDXZFILIZAK-UHFFFAOYSA-N
XLogP3.63
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine (CID 53375667) is 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine is Clc1ccc2c(NCCn3cc(COC4CCCCO4)nn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine?
The InChIKey is YFLQDXZFILIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-14-4-5-16-17(6-7-21-18(16)11-14)22-8-9-25-12-15(23-24-25)13-27-19-3-1-2-10-26-19/h4-7,11-12,19H,1-3,8-10,13H2,(H,21,22).
What are the key properties of 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine?
7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine has a molecular weight of 387.87 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(oxan-2-yloxymethyl)triazol-1-yl]ethyl]quinolin-4-amine is sourced from PubChem (CID 53375667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).