1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea

C23H26ClFN6O2 — CID 162655109

IUPAC1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cnc3ccc(F)cc3c2N(C)C2CCCN(C)C2)cc1Cl
InChIInChI=1S/C23H26ClFN6O2/c1-30-8-4-5-16(13-30)31(2)21-17-9-14(25)6-7-19(17)26-12-20(21)29-23(32)28-15-10-18(24)22(33-3)27-11-15/h6-7,9-12,16H,4-5,8,13H2,1-3H3,(H2,28,29,32)
InChIKeyVVAWSCAKBGGGTH-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.61
Rot. Bonds5

About 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea

1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea (PubChem CID 162655109) has the molecular formula C23H26ClFN6O2 and a molecular weight of 472.95 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea
PubChem CID162655109
Molecular FormulaC23H26ClFN6O2
Molecular Weight472.95 g/mol
Exact Mass472.18
IUPAC Name1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cnc3ccc(F)cc3c2N(C)C2CCCN(C)C2)cc1Cl
InChIInChI=1S/C23H26ClFN6O2/c1-30-8-4-5-16(13-30)31(2)21-17-9-14(25)6-7-19(17)26-12-20(21)29-23(32)28-15-10-18(24)22(33-3)27-11-15/h6-7,9-12,16H,4-5,8,13H2,1-3H3,(H2,28,29,32)
InChIKeyVVAWSCAKBGGGTH-UHFFFAOYSA-N
XLogP4.61
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685085
1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 122196526
4-(7-chloro-4-quinolinyl)-N-(2-methoxyphenyl)-1-piperazinecarboxamide
CID 2809982
4-(7-chloroquinolin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2809986
1-(3-Chloro-4-methoxyphenyl)-3-quinolin-4-ylurea
CID 18475610
N-{2-[(7-Chloroquinolin-4-yl)amino]ethyl}-N'-(4-methoxyphenyl)urea
CID 49864784
1-(5-Chloro-6-methoxy-3-pyridinyl)-3-[6-cyano-4-[methyl(oxan-4-yl)amino]quinolin-3-yl]urea
CID 162649917
1-[5-chloro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-3-[6-fluoro-4-[(3S)-3-methylmorpholin-4-yl]quinolin-3-yl]urea
CID 162656857
1-(3-Chloro-4-methoxyphenyl)-3-[6-cyano-4-[methyl(oxan-4-yl)amino]quinolin-3-yl]urea
CID 162665949
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-cyano-4-[(3S)-3-methylmorpholin-4-yl]quinolin-3-yl]urea
CID 162676061
N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164612970
N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164620424

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea?
The IUPAC name of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea (CID 162655109) is 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea.
What is the SMILES notation for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea?
The canonical SMILES for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea is COc1ncc(NC(=O)Nc2cnc3ccc(F)cc3c2N(C)C2CCCN(C)C2)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea?
The InChIKey is VVAWSCAKBGGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O2/c1-30-8-4-5-16(13-30)31(2)21-17-9-14(25)6-7-19(17)26-12-20(21)29-23(32)28-15-10-18(24)22(33-3)27-11-15/h6-7,9-12,16H,4-5,8,13H2,1-3H3,(H2,28,29,32).
What are the key properties of 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea?
1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea has a molecular weight of 472.95 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-3-pyridinyl)-3-[6-fluoro-4-[methyl-(1-methylpiperidin-3-yl)amino]quinolin-3-yl]urea is sourced from PubChem (CID 162655109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).