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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Related Compounds

CID 139390026
CID 139390026
CID 23648180
CID 23648180
CID 44521020
CID 44521020
CID 44521022
CID 44521022
CID 44521024
CID 44521024
CID 164514640
CID 164514640
CID 11495114
CID 11495114
CID 117967861
CID 117967861
CID 117968550
CID 117968550
CID 23648179
CID 23648179
CID 50898518
CID 50898518
CID 166629066
CID 166629066

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).