N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide

C31H29N5O6 — CID 45274825

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCOCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C31H29N5O6/c1-39-16-14-33-23-12-15-36(20-7-5-4-6-8-20)31(38)29(23)30(37)35-28-10-9-21(19-34-28)42-25-11-13-32-24-18-27(41-3)26(40-2)17-22(24)25/h4-13,15,17-19,33H,14,16H2,1-3H3,(H,34,35,37)
InChIKeyFLNBFIBKDFIVSN-UHFFFAOYSA-N
MW567.60 g/mol
LogP4.90
Rot. Bonds11

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 45274825) has the molecular formula C31H29N5O6 and a molecular weight of 567.60 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID45274825
Molecular FormulaC31H29N5O6
Molecular Weight567.60 g/mol
Exact Mass567.21
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCOCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C31H29N5O6/c1-39-16-14-33-23-12-15-36(20-7-5-4-6-8-20)31(38)29(23)30(37)35-28-10-9-21(19-34-28)42-25-11-13-32-24-18-27(41-3)26(40-2)17-22(24)25/h4-13,15,17-19,33H,14,16H2,1-3H3,(H,34,35,37)
InChIKeyFLNBFIBKDFIVSN-UHFFFAOYSA-N
XLogP4.90
TPSA125.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.60
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide (CID 45274825) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide is COCCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.
What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is FLNBFIBKDFIVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O6/c1-39-16-14-33-23-12-15-36(20-7-5-4-6-8-20)31(38)29(23)30(37)35-28-10-9-21(19-34-28)42-25-11-13-32-24-18-27(41-3)26(40-2)17-22(24)25/h4-13,15,17-19,33H,14,16H2,1-3H3,(H,34,35,37).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 567.60 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 45274825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).