(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C18H25N3O2 — CID 95578987

IUPAC(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)21-10-8-20(9-11-21)17(23)14-12-16(22)19-15-7-5-4-6-13(14)15/h4-7,14H,8-12H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyKHJNSMPXXILXNS-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.06
Rot. Bonds1

About (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95578987) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95578987
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)21-10-8-20(9-11-21)17(23)14-12-16(22)19-15-7-5-4-6-13(14)15/h4-7,14H,8-12H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyKHJNSMPXXILXNS-AWEZNQCLSA-N
XLogP2.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 95578987) is (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KHJNSMPXXILXNS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)21-10-8-20(9-11-21)17(23)14-12-16(22)19-15-7-5-4-6-13(14)15/h4-7,14H,8-12H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95578987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).