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

C35H35F2N5O2 — CID 91227349

IUPAC5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cccc(-c2ncc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C35H35F2N5O2/c1-21(2)14-27-20-42(12-13-44-27)25-18-31(35(39-19-25)23-8-7-9-26(15-23)43-4)41-34-22(3)33(29-10-5-6-11-38-29)40-30-17-24(36)16-28(37)32(30)34/h5-11,15-19,21,27H,12-14,20H2,1-4H3,(H,40,41)
InChIKeyPWFJPXFBANZWHI-UHFFFAOYSA-N
MW595.69 g/mol
LogP7.95
Rot. Bonds8

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

5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 91227349) has the molecular formula C35H35F2N5O2 and a molecular weight of 595.69 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID91227349
Molecular FormulaC35H35F2N5O2
Molecular Weight595.69 g/mol
Exact Mass595.28
IUPAC Name5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cccc(-c2ncc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C35H35F2N5O2/c1-21(2)14-27-20-42(12-13-44-27)25-18-31(35(39-19-25)23-8-7-9-26(15-23)43-4)41-34-22(3)33(29-10-5-6-11-38-29)40-30-17-24(36)16-28(37)32(30)34/h5-11,15-19,21,27H,12-14,20H2,1-4H3,(H,40,41)
InChIKeyPWFJPXFBANZWHI-UHFFFAOYSA-N
XLogP7.95
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.69
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)-quinoline
CID 12004255
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
7-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 12004114

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 91227349) is 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cccc(-c2ncc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is PWFJPXFBANZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N5O2/c1-21(2)14-27-20-42(12-13-44-27)25-18-31(35(39-19-25)23-8-7-9-26(15-23)43-4)41-34-22(3)33(29-10-5-6-11-38-29)40-30-17-24(36)16-28(37)32(30)34/h5-11,15-19,21,27H,12-14,20H2,1-4H3,(H,40,41).
What are the key properties of 5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 595.69 g/mol, XLogP of 7.95, 8 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-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 91227349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).