N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide

C27H24N4O4 — CID 46375309

IUPACN-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N4O4/c1-18(32)28-20-10-8-19(9-11-20)24-17-22(21-5-2-3-6-23(21)29-24)26(33)30-12-14-31(15-13-30)27(34)25-7-4-16-35-25/h2-11,16-17H,12-15H2,1H3,(H,28,32)
InChIKeyAHMVCDCIHOYHFY-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.05
Rot. Bonds4

About N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide

N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide (PubChem CID 46375309) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
PubChem CID46375309
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N4O4/c1-18(32)28-20-10-8-19(9-11-20)24-17-22(21-5-2-3-6-23(21)29-24)26(33)30-12-14-31(15-13-30)27(34)25-7-4-16-35-25/h2-11,16-17H,12-15H2,1H3,(H,28,32)
InChIKeyAHMVCDCIHOYHFY-UHFFFAOYSA-N
XLogP4.05
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
furan-2-yl-[4-(6-methoxy-2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 154772613
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
CID 46375237

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide (CID 46375309) is N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide?
The InChIKey is AHMVCDCIHOYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-18(32)28-20-10-8-19(9-11-20)24-17-22(21-5-2-3-6-23(21)29-24)26(33)30-12-14-31(15-13-30)27(34)25-7-4-16-35-25/h2-11,16-17H,12-15H2,1H3,(H,28,32).
What are the key properties of N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide?
N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide has a molecular weight of 468.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 46375309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).