N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide

C27H29ClN4O2 — CID 22909385

IUPACN-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NCCCN3CCC(c4c[nH]c5ccc(Cl)cc45)CC3)c2c1
InChIInChI=1S/C27H29ClN4O2/c1-34-20-4-6-25-23(16-20)21(7-11-29-25)27(33)30-10-2-12-32-13-8-18(9-14-32)24-17-31-26-5-3-19(28)15-22(24)26/h3-7,11,15-18,31H,2,8-10,12-14H2,1H3,(H,30,33)
InChIKeyMUVOTGINTYGHLB-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.38
Rot. Bonds7

About N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide

N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide (PubChem CID 22909385) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide
PubChem CID22909385
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC NameN-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NCCCN3CCC(c4c[nH]c5ccc(Cl)cc45)CC3)c2c1
InChIInChI=1S/C27H29ClN4O2/c1-34-20-4-6-25-23(16-20)21(7-11-29-25)27(33)30-10-2-12-32-13-8-18(9-14-32)24-17-31-26-5-3-19(28)15-22(24)26/h3-7,11,15-18,31H,2,8-10,12-14H2,1H3,(H,30,33)
InChIKeyMUVOTGINTYGHLB-UHFFFAOYSA-N
XLogP5.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]hexanamide
CID 11555824
6-[(8-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]hexanamide
CID 11555826
7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]heptanamide
CID 11563410
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11569290
N-(3-Pyridyl)indomethacin Amide
CID 4434869
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 1769607
Nicotinamide, N-(2-(5-methoxyindol-3-yl)ethyl)-
CID 207354
Indomethacin-amide derivative, 20
CID 4295
Indomethacin-amide derivative, 14
CID 4963667
Indomethacin-amide derivative, 15
CID 42618094
Indomethacin-amide derivative, 19
CID 42618095

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide (CID 22909385) is N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide is COc1ccc2nccc(C(=O)NCCCN3CCC(c4c[nH]c5ccc(Cl)cc45)CC3)c2c1.
What is the InChIKey of N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide?
The InChIKey is MUVOTGINTYGHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-34-20-4-6-25-23(16-20)21(7-11-29-25)27(33)30-10-2-12-32-13-8-18(9-14-32)24-17-31-26-5-3-19(28)15-22(24)26/h3-7,11,15-18,31H,2,8-10,12-14H2,1H3,(H,30,33).
What are the key properties of N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide?
N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]propyl]-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 22909385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).