4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide

C27H23F2N3O5 — CID 168842830

IUPAC4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
SMILESC[C@H](O)COc1ccc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC4CC4)cc3F)ccnc2c1
InChIInChI=1S/C27H23F2N3O5/c1-15(33)14-35-18-4-5-19-23(12-18)31-9-7-24(19)37-26-21(28)10-16(11-22(26)29)32-27(34)20-13-30-8-6-25(20)36-17-2-3-17/h4-13,15,17,33H,2-3,14H2,1H3,(H,32,34)/t15-/m0/s1
InChIKeyJAWONDBLTSVXQQ-HNNXBMFYSA-N
MW507.49 g/mol
LogP5.25
Rot. Bonds9

About 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide

4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide (PubChem CID 168842830) has the molecular formula C27H23F2N3O5 and a molecular weight of 507.49 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
PubChem CID168842830
Molecular FormulaC27H23F2N3O5
Molecular Weight507.49 g/mol
Exact Mass507.16
IUPAC Name4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
SMILESC[C@H](O)COc1ccc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC4CC4)cc3F)ccnc2c1
InChIInChI=1S/C27H23F2N3O5/c1-15(33)14-35-18-4-5-19-23(12-18)31-9-7-24(19)37-26-21(28)10-16(11-22(26)29)32-27(34)20-13-30-8-6-25(20)36-17-2-3-17/h4-13,15,17,33H,2-3,14H2,1H3,(H,32,34)/t15-/m0/s1
InChIKeyJAWONDBLTSVXQQ-HNNXBMFYSA-N
XLogP5.25
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropyloxy-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 168842883
N-[4-[(5-cyclopropyl-1,6-naphthyridin-4-yl)oxy]-3,5-difluorophenyl]-4-cyclopropyloxypyridine-3-carboxamide
CID 176567511
N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
CID 170006587
4-cyclobutyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842787
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
N-[4-(6-amino-7-fluoroquinolin-4-yl)oxy-3,5-difluorophenyl]-4-methoxypyridine-3-carboxamide
CID 176567513
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576
(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
CID 174116867
N-[3,5-difluoro-4-[7-(2-hydroxy-2-methylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842960
N-[4-[7-[(1-aminocyclopropyl)methoxy]quinolin-4-yl]oxy-3,5-difluorophenyl]-7-cyclopropyloxycyclohepta-1,4,6-triene-1-carboxamide
CID 168943001
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide (CID 168842830) is 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide is C[C@H](O)COc1ccc2c(Oc3c(F)cc(NC(=O)c4cnccc4OC4CC4)cc3F)ccnc2c1.
What is the InChIKey of 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
The InChIKey is JAWONDBLTSVXQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C27H23F2N3O5/c1-15(33)14-35-18-4-5-19-23(12-18)31-9-7-24(19)37-26-21(28)10-16(11-22(26)29)32-27(34)20-13-30-8-6-25(20)36-17-2-3-17/h4-13,15,17,33H,2-3,14H2,1H3,(H,32,34)/t15-/m0/s1.
What are the key properties of 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide?
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide has a molecular weight of 507.49 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 168842830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).