4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide

C27H31N4O5P3 — CID 170005616

IUPAC4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide
SMILESCNCCCOc1cc2nccc(Oc3c(P)cc(NC(=O)c4c(OC)ccnc4P)cc3P)c2cc1OC
InChIInChI=1S/C27H31N4O5P3/c1-28-7-4-10-35-21-14-17-16(13-20(21)34-3)18(5-8-29-17)36-25-22(37)11-15(12-23(25)38)31-26(32)24-19(33-2)6-9-30-27(24)39/h5-6,8-9,11-14,28H,4,7,10,37-39H2,1-3H3,(H,31,32)
InChIKeyYWDYOJPZTOYEQV-UHFFFAOYSA-N
MW584.49 g/mol
LogP3.18
Rot. Bonds11

About 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide

4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide (PubChem CID 170005616) has the molecular formula C27H31N4O5P3 and a molecular weight of 584.49 g/mol. Its IUPAC name is 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide
PubChem CID170005616
Molecular FormulaC27H31N4O5P3
Molecular Weight584.49 g/mol
Exact Mass584.15
IUPAC Name4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide
SMILESCNCCCOc1cc2nccc(Oc3c(P)cc(NC(=O)c4c(OC)ccnc4P)cc3P)c2cc1OC
InChIInChI=1S/C27H31N4O5P3/c1-28-7-4-10-35-21-14-17-16(13-20(21)34-3)18(5-8-29-17)36-25-22(37)11-15(12-23(25)38)31-26(32)24-19(33-2)6-9-30-27(24)39/h5-6,8-9,11-14,28H,4,7,10,37-39H2,1-3H3,(H,31,32)
InChIKeyYWDYOJPZTOYEQV-UHFFFAOYSA-N
XLogP3.18
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide
CID 170005583
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
2-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842926
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576
2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943078
6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842833
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[3,5-difluoro-4-[6-(hydroxymethyl)-7-[3-(methylamino)propoxy]quinolin-4-yl]oxyphenyl]-4-ethoxypyridine-3-carboxamide
CID 169045756

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide?
The IUPAC name of 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide (CID 170005616) is 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide is CNCCCOc1cc2nccc(Oc3c(P)cc(NC(=O)c4c(OC)ccnc4P)cc3P)c2cc1OC.
What is the InChIKey of 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide?
The InChIKey is YWDYOJPZTOYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N4O5P3/c1-28-7-4-10-35-21-14-17-16(13-20(21)34-3)18(5-8-29-17)36-25-22(37)11-15(12-23(25)38)31-26(32)24-19(33-2)6-9-30-27(24)39/h5-6,8-9,11-14,28H,4,7,10,37-39H2,1-3H3,(H,31,32).
What are the key properties of 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide?
4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide has a molecular weight of 584.49 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-2-phosphanylpyridine-3-carboxamide is sourced from PubChem (CID 170005616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).