4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C28H28N4O4 — CID 11260252

IUPAC4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2nccc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC
InChIInChI=1S/C28H28N4O4/c1-34-26-18-23-24(19-27(26)35-2)29-13-12-25(23)31-14-16-32(17-15-31)28(33)30-20-8-10-22(11-9-20)36-21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3,(H,30,33)
InChIKeyAKMBGXASUFXUGK-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.40
Rot. Bonds6

About 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11260252) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11260252
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc2nccc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC
InChIInChI=1S/C28H28N4O4/c1-34-26-18-23-24(19-27(26)35-2)29-13-12-25(23)31-14-16-32(17-15-31)28(33)30-20-8-10-22(11-9-20)36-21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3,(H,30,33)
InChIKeyAKMBGXASUFXUGK-UHFFFAOYSA-N
XLogP5.40
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cabozantinib
CID 25102847
Foretinib
CID 42642645
Tandutinib
CID 3038522
Abanoquil
CID 164089
Cep-40783
CID 71576419
Src Kinase Inhibitor I
CID 1474853
3-{4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-(2-phenylacetyl)thiourea
CID 9870238
N-(4-Chlorophenyl)-7-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-2,3-Dihydro-1,4-Benzoxazine-4-Carboxamide
CID 11375301
1-Imidazolidinecarboxamide, N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenyl-
CID 23652906
10,11-Dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
CID 17754396
Buquineran
CID 71953
1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11260252) is 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is COc1cc2nccc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is AKMBGXASUFXUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-34-26-18-23-24(19-27(26)35-2)29-13-12-25(23)31-14-16-32(17-15-31)28(33)30-20-8-10-22(11-9-20)36-21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3,(H,30,33).
What are the key properties of 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11260252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).