6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide

C25H28FN5O4 — CID 146313911

IUPAC6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)N(C)CCN4CCOCC4)cc3)c(=O)[nH]c12
InChIInChI=1S/C25H28FN5O4/c1-27-21-15-18(26)13-17-14-20(24(33)29-22(17)21)23(32)28-19-5-3-16(4-6-19)25(34)30(2)7-8-31-9-11-35-12-10-31/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyWXDPTIXOZFOBQT-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.37
Rot. Bonds7

About 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide

6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 146313911) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID146313911
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)N(C)CCN4CCOCC4)cc3)c(=O)[nH]c12
InChIInChI=1S/C25H28FN5O4/c1-27-21-15-18(26)13-17-14-20(24(33)29-22(17)21)23(32)28-19-5-3-16(4-6-19)25(34)30(2)7-8-31-9-11-35-12-10-31/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyWXDPTIXOZFOBQT-UHFFFAOYSA-N
XLogP2.37
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24824960
CID 24824960
CID 53900460
CID 53900460
CID 126483567
CID 126483567
CID 126483601
CID 126483601
CID 146313952
CID 146313952
CID 2212314
CID 2212314
CID 23533306
CID 23533306
CID 1086047
CID 1086047
CID 46889057
CID 46889057
CID 2812678
CID 2812678
CID 2812996
CID 2812996
CID 4824097
CID 4824097

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide (CID 146313911) is 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide is CNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)N(C)CCN4CCOCC4)cc3)c(=O)[nH]c12.
What is the InChIKey of 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WXDPTIXOZFOBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-27-21-15-18(26)13-17-14-20(24(33)29-22(17)21)23(32)28-19-5-3-16(4-6-19)25(34)30(2)7-8-31-9-11-35-12-10-31/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(methylamino)-N-[4-[methyl(2-morpholin-4-ylethyl)carbamoyl]phenyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 146313911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).