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

C30H27N5O5 — CID 45274615

IUPAC1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide
SMILESCNc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C30H27N5O5/c1-31-22-12-14-35(18-19-7-5-4-6-8-19)30(37)28(22)29(36)34-27-10-9-20(17-33-27)40-24-11-13-32-23-16-26(39-3)25(38-2)15-21(23)24/h4-17,31H,18H2,1-3H3,(H,33,34,36)
InChIKeyHMPBJXGQRFGDCD-UHFFFAOYSA-N
MW537.58 g/mol
LogP4.94
Rot. Bonds9

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

1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide (PubChem CID 45274615) has the molecular formula C30H27N5O5 and a molecular weight of 537.58 g/mol. Its IUPAC name is 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide
PubChem CID45274615
Molecular FormulaC30H27N5O5
Molecular Weight537.58 g/mol
Exact Mass537.20
IUPAC Name1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide
SMILESCNc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C30H27N5O5/c1-31-22-12-14-35(18-19-7-5-4-6-8-19)30(37)28(22)29(36)34-27-10-9-20(17-33-27)40-24-11-13-32-23-16-26(39-3)25(38-2)15-21(23)24/h4-17,31H,18H2,1-3H3,(H,33,34,36)
InChIKeyHMPBJXGQRFGDCD-UHFFFAOYSA-N
XLogP4.94
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.58
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide (CID 45274615) is 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide is CNc1ccn(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.
What is the InChIKey of 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide?
The InChIKey is HMPBJXGQRFGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O5/c1-31-22-12-14-35(18-19-7-5-4-6-8-19)30(37)28(22)29(36)34-27-10-9-20(17-33-27)40-24-11-13-32-23-16-26(39-3)25(38-2)15-21(23)24/h4-17,31H,18H2,1-3H3,(H,33,34,36).
What are the key properties of 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide?
1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide has a molecular weight of 537.58 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-(methylamino)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 45274615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).