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

C25H27N4O4P3 — CID 170005583

IUPACN-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide
SMILESCOc1ccnc(P)c1C(=O)Nc1cc(P)c(Oc2ccnc3cc(OC[C@@H](C)N)ccc23)c(P)c1
InChIInChI=1S/C25H27N4O4P3/c1-13(26)12-32-15-3-4-16-17(11-15)27-7-5-18(16)33-23-20(34)9-14(10-21(23)35)29-24(30)22-19(31-2)6-8-28-25(22)36/h3-11,13H,12,26,34-36H2,1-2H3,(H,29,30)/t13-/m1/s1
InChIKeyHECSZFAVUBYHMU-CYBMUJFWSA-N
MW540.44 g/mol
LogP2.91
Rot. Bonds8

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

N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide (PubChem CID 170005583) has the molecular formula C25H27N4O4P3 and a molecular weight of 540.44 g/mol. Its IUPAC name is N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide
PubChem CID170005583
Molecular FormulaC25H27N4O4P3
Molecular Weight540.44 g/mol
Exact Mass540.12
IUPAC NameN-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide
SMILESCOc1ccnc(P)c1C(=O)Nc1cc(P)c(Oc2ccnc3cc(OC[C@@H](C)N)ccc23)c(P)c1
InChIInChI=1S/C25H27N4O4P3/c1-13(26)12-32-15-3-4-16-17(11-15)27-7-5-18(16)33-23-20(34)9-14(10-21(23)35)29-24(30)22-19(31-2)6-8-28-25(22)36/h3-11,13H,12,26,34-36H2,1-2H3,(H,29,30)/t13-/m1/s1
InChIKeyHECSZFAVUBYHMU-CYBMUJFWSA-N
XLogP2.91
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576
4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943021
N-[4-(7-ethoxyquinolin-4-yl)oxy-3-fluoro-5-iodophenyl]-4-methoxypyridine-3-carboxamide
CID 170006587
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842830
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 66669886
4,7-dimethoxyquinoline
CID 20743716
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 66669934
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-methylpropanoate
CID 59491042
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
[(4S)-2-amino-5-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]-4-methylpentanoyl] benzoate
CID 87555556

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide?
The IUPAC name of N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide (CID 170005583) is N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide is COc1ccnc(P)c1C(=O)Nc1cc(P)c(Oc2ccnc3cc(OC[C@@H](C)N)ccc23)c(P)c1.
What is the InChIKey of N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide?
The InChIKey is HECSZFAVUBYHMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H27N4O4P3/c1-13(26)12-32-15-3-4-16-17(11-15)27-7-5-18(16)33-23-20(34)9-14(10-21(23)35)29-24(30)22-19(31-2)6-8-28-25(22)36/h3-11,13H,12,26,34-36H2,1-2H3,(H,29,30)/t13-/m1/s1.
What are the key properties of N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide?
N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide has a molecular weight of 540.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]-4-methoxy-2-phosphanylpyridine-3-carboxamide is sourced from PubChem (CID 170005583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).