7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine

C20H19ClFN3O — CID 44572766

IUPAC7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine
SMILESFc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCOCC1
InChIInChI=1S/C20H19ClFN3O/c21-15-1-3-17-19(5-6-23-20(17)12-15)24-16-2-4-18(22)14(11-16)13-25-7-9-26-10-8-25/h1-6,11-12H,7-10,13H2,(H,23,24)
InChIKeyOCWBPAOZCWFBFZ-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.60
Rot. Bonds4

About 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine

7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine (PubChem CID 44572766) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine
PubChem CID44572766
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine
SMILESFc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCOCC1
InChIInChI=1S/C20H19ClFN3O/c21-15-1-3-17-19(5-6-23-20(17)12-15)24-16-2-4-18(22)14(11-16)13-25-7-9-26-10-8-25/h1-6,11-12H,7-10,13H2,(H,23,24)
InChIKeyOCWBPAOZCWFBFZ-UHFFFAOYSA-N
XLogP4.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine (CID 44572766) is 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine is Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCOCC1.
What is the InChIKey of 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine?
The InChIKey is OCWBPAOZCWFBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-15-1-3-17-19(5-6-23-20(17)12-15)24-16-2-4-18(22)14(11-16)13-25-7-9-26-10-8-25/h1-6,11-12H,7-10,13H2,(H,23,24).
What are the key properties of 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine?
7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine has a molecular weight of 371.84 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 44572766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).