N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide

C27H29ClN4O2 — CID 6622598

IUPACN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
InChIInChI=1S/C27H29ClN4O2/c1-18-8-9-20(28)16-24(18)32-14-12-31(13-15-32)11-5-10-29-27(33)25-17-22-19(2)30-23-7-4-3-6-21(23)26(22)34-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,29,33)
InChIKeyYEXSTXQYFFFZKK-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.19
Rot. Bonds6

About N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide

N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide (PubChem CID 6622598) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
PubChem CID6622598
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC NameN-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
InChIInChI=1S/C27H29ClN4O2/c1-18-8-9-20(28)16-24(18)32-14-12-31(13-15-32)11-5-10-29-27(33)25-17-22-19(2)30-23-7-4-3-6-21(23)26(22)34-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,29,33)
InChIKeyYEXSTXQYFFFZKK-UHFFFAOYSA-N
XLogP5.19
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide
CID 15993344
N-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloylfuro[2,3-b]pyridin-3-yl)-2-(methylamino)acetamide
CID 11756059
2-(4-chlorophenyl)-8-piperazin-1-yl-5-(pyridin-2-ylmethyl)-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251162
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 53475321
(5-chloro-1-benzofuran-2-yl)-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 156869302
10-methyl-4-(2-methylphenyl)-8-phenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2817071
4-methyl-N-(tetrahydrofuran-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3235846
N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
CID 3236194
N-[3-(dipropylamino)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
CID 3236862
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079
N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide
CID 3237492
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 3237763

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide (CID 6622598) is N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide is Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1.
What is the InChIKey of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The InChIKey is YEXSTXQYFFFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-18-8-9-20(28)16-24(18)32-14-12-31(13-15-32)11-5-10-29-27(33)25-17-22-19(2)30-23-7-4-3-6-21(23)26(22)34-25/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,29,33).
What are the key properties of N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).