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

C34H32F3N5O2 — CID 66632380

IUPAC5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3ccc(OC(C)C)c(F)c3)c2C)c1
InChIInChI=1S/C34H32F3N5O2/c1-19(2)44-30-6-5-22(14-25(30)36)24-18-39-31(42-9-11-43-12-10-42)17-27(24)40-34-21(4)33(29-13-20(3)7-8-38-29)41-28-16-23(35)15-26(37)32(28)34/h5-8,13-19H,9-12H2,1-4H3,(H,39,40,41)
InChIKeyDMEVEOBSWPPKTK-UHFFFAOYSA-N
MW599.66 g/mol
LogP7.76
Rot. Bonds7

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

5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 66632380) has the molecular formula C34H32F3N5O2 and a molecular weight of 599.66 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID66632380
Molecular FormulaC34H32F3N5O2
Molecular Weight599.66 g/mol
Exact Mass599.25
IUPAC Name5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3ccc(OC(C)C)c(F)c3)c2C)c1
InChIInChI=1S/C34H32F3N5O2/c1-19(2)44-30-6-5-22(14-25(30)36)24-18-39-31(42-9-11-43-12-10-42)17-27(24)40-34-21(4)33(29-13-20(3)7-8-38-29)41-28-16-23(35)15-26(37)32(28)34/h5-8,13-19H,9-12H2,1-4H3,(H,39,40,41)
InChIKeyDMEVEOBSWPPKTK-UHFFFAOYSA-N
XLogP7.76
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.66
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 66632380) is 5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-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-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cc(N4CCOCC4)ncc3-c3ccc(OC(C)C)c(F)c3)c2C)c1.
What is the InChIKey of 5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is DMEVEOBSWPPKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O2/c1-19(2)44-30-6-5-22(14-25(30)36)24-18-39-31(42-9-11-43-12-10-42)17-27(24)40-34-21(4)33(29-13-20(3)7-8-38-29)41-28-16-23(35)15-26(37)32(28)34/h5-8,13-19H,9-12H2,1-4H3,(H,39,40,41).
What are the key properties of 5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[5-(3-fluoro-4-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 599.66 g/mol, XLogP of 7.76, 7 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-propan-2-yloxyphenyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66632380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).