5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C32H28F3N5O2 — CID 66632148

IUPAC5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C32H28F3N5O2/c1-18-6-7-36-27(12-18)31-19(2)32(30-24(35)14-21(33)15-26(30)39-31)38-25-16-29(40-8-10-42-11-9-40)37-17-22(25)20-4-5-28(41-3)23(34)13-20/h4-7,12-17H,8-11H2,1-3H3,(H,37,38,39)
InChIKeyQQJAJEPNKMTDJN-UHFFFAOYSA-N
MW571.60 g/mol
LogP6.98
Rot. Bonds6

About 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 66632148) has the molecular formula C32H28F3N5O2 and a molecular weight of 571.60 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID66632148
Molecular FormulaC32H28F3N5O2
Molecular Weight571.60 g/mol
Exact Mass571.22
IUPAC Name5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C32H28F3N5O2/c1-18-6-7-36-27(12-18)31-19(2)32(30-24(35)14-21(33)15-26(30)39-31)38-25-16-29(40-8-10-42-11-9-40)37-17-22(25)20-4-5-28(41-3)23(34)13-20/h4-7,12-17H,8-11H2,1-3H3,(H,37,38,39)
InChIKeyQQJAJEPNKMTDJN-UHFFFAOYSA-N
XLogP6.98
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.60
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 66632148) is 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cc1F.
What is the InChIKey of 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is QQJAJEPNKMTDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N5O2/c1-18-6-7-36-27(12-18)31-19(2)32(30-24(35)14-21(33)15-26(30)39-31)38-25-16-29(40-8-10-42-11-9-40)37-17-22(25)20-4-5-28(41-3)23(34)13-20/h4-7,12-17H,8-11H2,1-3H3,(H,37,38,39).
What are the key properties of 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 571.60 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66632148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).