N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide

C27H16Cl3FN4O3 — CID 155538576

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c3=O)cc2F)c1Cl
InChIInChI=1S/C27H16Cl3FN4O3/c28-18-7-6-16(13-19(18)29)35-21-4-2-1-3-14(21)11-17(27(35)37)26(36)34-15-5-8-22(20(31)12-15)38-23-9-10-33-25(32)24(23)30/h1-13H,(H2,32,33)(H,34,36)
InChIKeyRFPGZGKYPLVDFU-UHFFFAOYSA-N
MW569.81 g/mol
LogP7.11
Rot. Bonds5

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 155538576) has the molecular formula C27H16Cl3FN4O3 and a molecular weight of 569.81 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
PubChem CID155538576
Molecular FormulaC27H16Cl3FN4O3
Molecular Weight569.81 g/mol
Exact Mass568.03
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c3=O)cc2F)c1Cl
InChIInChI=1S/C27H16Cl3FN4O3/c28-18-7-6-16(13-19(18)29)35-21-4-2-1-3-14(21)11-17(27(35)37)26(36)34-15-5-8-22(20(31)12-15)38-23-9-10-33-25(32)24(23)30/h1-13H,(H2,32,33)(H,34,36)
InChIKeyRFPGZGKYPLVDFU-UHFFFAOYSA-N
XLogP7.11
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.81
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxamide
CID 155177383
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545400
(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
CID 167269576
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-6-methyl-1-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 167268776
N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 169025743
[4-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenyl] dihydrogen phosphate
CID 155006610
2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 171481465
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
CID 90338904
[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenyl] diethyl phosphate
CID 154998159

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide (CID 155538576) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccc(Cl)c(Cl)c4)c3=O)cc2F)c1Cl.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is RFPGZGKYPLVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl3FN4O3/c28-18-7-6-16(13-19(18)29)35-21-4-2-1-3-14(21)11-17(27(35)37)26(36)34-15-5-8-22(20(31)12-15)38-23-9-10-33-25(32)24(23)30/h1-13H,(H2,32,33)(H,34,36).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 569.81 g/mol, XLogP of 7.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155538576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).