6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one

C25H30ClN3O — CID 142842609

IUPAC6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one
SMILESCCn1c(=O)cc(NC2CCN(CCCc3ccccc3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C25H30ClN3O/c1-2-29-24-11-10-20(26)17-22(24)23(18-25(29)30)27-21-12-15-28(16-13-21)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,21,27H,2,6,9,12-16H2,1H3
InChIKeyZVUYODYIZJEBGW-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.18
Rot. Bonds7

About 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one

6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one (PubChem CID 142842609) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one
PubChem CID142842609
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one
SMILESCCn1c(=O)cc(NC2CCN(CCCc3ccccc3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C25H30ClN3O/c1-2-29-24-11-10-20(26)17-22(24)23(18-25(29)30)27-21-12-15-28(16-13-21)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,21,27H,2,6,9,12-16H2,1H3
InChIKeyZVUYODYIZJEBGW-UHFFFAOYSA-N
XLogP5.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one
CID 11837127
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
6-chloro-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]amino]chromen-2-one
CID 10003619
8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759060
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-1-(1H-imidazol-5-ylmethyl)quinolin-2-one
CID 22348162
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one?
The IUPAC name of 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one (CID 142842609) is 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one.
What is the SMILES notation for 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one?
The canonical SMILES for 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one is CCn1c(=O)cc(NC2CCN(CCCc3ccccc3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one?
The InChIKey is ZVUYODYIZJEBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c1-2-29-24-11-10-20(26)17-22(24)23(18-25(29)30)27-21-12-15-28(16-13-21)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,21,27H,2,6,9,12-16H2,1H3.
What are the key properties of 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one?
6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one has a molecular weight of 423.99 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one is sourced from PubChem (CID 142842609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).