7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide

C27H28ClFN4O — CID 22909374

IUPAC7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C27H28ClFN4O/c1-17-13-23(21-5-3-19(28)14-26(21)32-17)27(34)30-9-2-10-33-11-7-18(8-12-33)24-16-31-25-15-20(29)4-6-22(24)25/h3-6,13-16,18,31H,2,7-12H2,1H3,(H,30,34)
InChIKeyYFNLSMFZOTZSEP-UHFFFAOYSA-N
MW479.00 g/mol
LogP5.82
Rot. Bonds6

About 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide

7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide (PubChem CID 22909374) has the molecular formula C27H28ClFN4O and a molecular weight of 479.00 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide
PubChem CID22909374
Molecular FormulaC27H28ClFN4O
Molecular Weight479.00 g/mol
Exact Mass478.19
IUPAC Name7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C27H28ClFN4O/c1-17-13-23(21-5-3-19(28)14-26(21)32-17)27(34)30-9-2-10-33-11-7-18(8-12-33)24-16-31-25-15-20(29)4-6-22(24)25/h3-6,13-16,18,31H,2,7-12H2,1H3,(H,30,34)
InChIKeyYFNLSMFZOTZSEP-UHFFFAOYSA-N
XLogP5.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide with MolForge

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Related Compounds

AV-608
CID 9917079
Indoramin hydrochloride
CID 38102
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
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4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-3-(1H-indol-3-yl)propionamide
CID 11156598
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CID 11249115
N-[8-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-octyl]-3-(1H-indol-3-yl)propionamide
CID 11249560
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-2-(1H-indol-3-yl)acetamide
CID 11283475
N-[6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]4-(1H-Indol-3-yl)-butyramide
CID 11341331
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-pentyl]-4-(1H-indol-3-yl)butyramide
CID 11432076
7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]heptanamide
CID 11706508
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide (CID 22909374) is 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide?
The InChIKey is YFNLSMFZOTZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN4O/c1-17-13-23(21-5-3-19(28)14-26(21)32-17)27(34)30-9-2-10-33-11-7-18(8-12-33)24-16-31-25-15-20(29)4-6-22(24)25/h3-6,13-16,18,31H,2,7-12H2,1H3,(H,30,34).
What are the key properties of 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide?
7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide has a molecular weight of 479.00 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 22909374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).