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

C29H25N5O5 — CID 44622837

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
InChIKeyDSTDNBAORRODRL-UHFFFAOYSA-N
MW523.55 g/mol
LogP4.88
Rot. Bonds8

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

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 44622837) has the molecular formula C29H25N5O5 and a molecular weight of 523.55 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID44622837
Molecular FormulaC29H25N5O5
Molecular Weight523.55 g/mol
Exact Mass523.19
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCNc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35)
InChIKeyDSTDNBAORRODRL-UHFFFAOYSA-N
XLogP4.88
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide (CID 44622837) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide is CNc1ccn(-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-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is DSTDNBAORRODRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O5/c1-30-21-12-14-34(18-7-5-4-6-8-18)29(36)27(21)28(35)33-26-10-9-19(17-32-26)39-23-11-13-31-22-16-25(38-3)24(37-2)15-20(22)23/h4-17,30H,1-3H3,(H,32,33,35).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 523.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 44622837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).