N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

C25H25FN4O — CID 53032674

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1
InChIInChI=1S/C25H25FN4O/c26-21-6-2-1-4-20(21)16-30-12-9-17(10-13-30)15-28-25(31)22-14-19-8-7-18-5-3-11-27-23(18)24(19)29-22/h1-8,11,14,17,29H,9-10,12-13,15-16H2,(H,28,31)
InChIKeyAICIZXQUXKBAEW-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.50
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (PubChem CID 53032674) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
PubChem CID53032674
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1
InChIInChI=1S/C25H25FN4O/c26-21-6-2-1-4-20(21)16-30-12-9-17(10-13-30)15-28-25(31)22-14-19-8-7-18-5-3-11-27-23(18)24(19)29-22/h1-8,11,14,17,29H,9-10,12-13,15-16H2,(H,28,31)
InChIKeyAICIZXQUXKBAEW-UHFFFAOYSA-N
XLogP4.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925636
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
N-cyclopropyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 53003807
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 53028084
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
N-ethyl-N-(2-ethylphenyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925635
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-1H-indole-2-carboxamide
CID 25055089
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-quinolin-8-ylacetamide
CID 71879938

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (CID 53032674) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is O=C(NCC1CCN(Cc2ccccc2F)CC1)c1cc2ccc3cccnc3c2[nH]1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The InChIKey is AICIZXQUXKBAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-21-6-2-1-4-20(21)16-30-12-9-17(10-13-30)15-28-25(31)22-14-19-8-7-18-5-3-11-27-23(18)24(19)29-22/h1-8,11,14,17,29H,9-10,12-13,15-16H2,(H,28,31).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is sourced from PubChem (CID 53032674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).