4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one

C19H21N3O2 — CID 136570573

IUPAC4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1nc2ccccc2cc1C1CC1
InChIInChI=1S/C19H21N3O2/c1-19(2)18(24)20-9-10-22(19)17(23)16-14(12-7-8-12)11-13-5-3-4-6-15(13)21-16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyNVBMTTDQIIUSIC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.46
Rot. Bonds2

About 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one

4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 136570573) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID136570573
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1nc2ccccc2cc1C1CC1
InChIInChI=1S/C19H21N3O2/c1-19(2)18(24)20-9-10-22(19)17(23)16-14(12-7-8-12)11-13-5-3-4-6-15(13)21-16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyNVBMTTDQIIUSIC-UHFFFAOYSA-N
XLogP2.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one (CID 136570573) is 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1nc2ccccc2cc1C1CC1.
What is the InChIKey of 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is NVBMTTDQIIUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2)18(24)20-9-10-22(19)17(23)16-14(12-7-8-12)11-13-5-3-4-6-15(13)21-16/h3-6,11-12H,7-10H2,1-2H3,(H,20,24).
What are the key properties of 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 136570573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).