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

C32H29F2N5O2 — CID 59631099

IUPAC5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cc1
InChIInChI=1S/C32H29F2N5O2/c1-19-8-9-35-27(14-19)30-20(2)31(29-25(34)15-22(33)16-26(29)37-30)38-28-17-23(39-10-12-41-13-11-39)18-36-32(28)21-4-6-24(40-3)7-5-21/h4-9,14-18H,10-13H2,1-3H3,(H,37,38)
InChIKeyUNHFWLKOUIJAEN-UHFFFAOYSA-N
MW553.61 g/mol
LogP6.84
Rot. Bonds6

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

5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 59631099) has the molecular formula C32H29F2N5O2 and a molecular weight of 553.61 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID59631099
Molecular FormulaC32H29F2N5O2
Molecular Weight553.61 g/mol
Exact Mass553.23
IUPAC Name5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cc1
InChIInChI=1S/C32H29F2N5O2/c1-19-8-9-35-27(14-19)30-20(2)31(29-25(34)15-22(33)16-26(29)37-30)38-28-17-23(39-10-12-41-13-11-39)18-36-32(28)21-4-6-24(40-3)7-5-21/h4-9,14-18H,10-13H2,1-3H3,(H,37,38)
InChIKeyUNHFWLKOUIJAEN-UHFFFAOYSA-N
XLogP6.84
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.61
LogP ≤ 56.84
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-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 59631099) is 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is COc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cc1.
What is the InChIKey of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is UNHFWLKOUIJAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N5O2/c1-19-8-9-35-27(14-19)30-20(2)31(29-25(34)15-22(33)16-26(29)37-30)38-28-17-23(39-10-12-41-13-11-39)18-36-32(28)21-4-6-24(40-3)7-5-21/h4-9,14-18H,10-13H2,1-3H3,(H,37,38).
What are the key properties of 5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 553.61 g/mol, XLogP of 6.84, 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-[2-(4-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 59631099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).