N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C30H27N3O5 — CID 56644086

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC
InChIInChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35)
InChIKeyWFDAQNSWGDXBKO-UHFFFAOYSA-N
MW509.56 g/mol
LogP6.19
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 56644086) has the molecular formula C30H27N3O5 and a molecular weight of 509.56 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID56644086
Molecular FormulaC30H27N3O5
Molecular Weight509.56 g/mol
Exact Mass509.20
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC
InChIInChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35)
InChIKeyWFDAQNSWGDXBKO-UHFFFAOYSA-N
XLogP6.19
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.56
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 56644086) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is WFDAQNSWGDXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O5/c1-18(2)33-17-23(29(34)21-7-5-6-8-25(21)33)30(35)32-19-9-11-20(12-10-19)38-26-13-14-31-24-16-28(37-4)27(36-3)15-22(24)26/h5-18H,1-4H3,(H,32,35).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 509.56 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 56644086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).