4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C18H23N3O2 — CID 56816786

IUPAC4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCN(CC3CC3)CC2)c2ccccc2N1
InChIInChI=1S/C18H23N3O2/c22-17-11-15(14-3-1-2-4-16(14)19-17)18(23)21-9-7-20(8-10-21)12-13-5-6-13/h1-4,13,15H,5-12H2,(H,19,22)
InChIKeyGDTFEEQWPOKKCO-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.67
Rot. Bonds3

About 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 56816786) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID56816786
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCN(CC3CC3)CC2)c2ccccc2N1
InChIInChI=1S/C18H23N3O2/c22-17-11-15(14-3-1-2-4-16(14)19-17)18(23)21-9-7-20(8-10-21)12-13-5-6-13/h1-4,13,15H,5-12H2,(H,19,22)
InChIKeyGDTFEEQWPOKKCO-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 56816786) is 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C(=O)N2CCN(CC3CC3)CC2)c2ccccc2N1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GDTFEEQWPOKKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-11-15(14-3-1-2-4-16(14)19-17)18(23)21-9-7-20(8-10-21)12-13-5-6-13/h1-4,13,15H,5-12H2,(H,19,22).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 56816786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).