4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

C22H27N5O2 — CID 46989368

IUPAC4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCC(n4cc(C(C)(C)C)nn4)CC3)c2c1
InChIInChI=1S/C22H27N5O2/c1-14-5-6-18-16(11-14)17(12-20(28)23-18)21(29)26-9-7-15(8-10-26)27-13-19(24-25-27)22(2,3)4/h5-6,11-13,15H,7-10H2,1-4H3,(H,23,28)
InChIKeyDYOZGKXPOZIOAM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.20
Rot. Bonds2

About 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (PubChem CID 46989368) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
PubChem CID46989368
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCC(n4cc(C(C)(C)C)nn4)CC3)c2c1
InChIInChI=1S/C22H27N5O2/c1-14-5-6-18-16(11-14)17(12-20(28)23-18)21(29)26-9-7-15(8-10-26)27-13-19(24-25-27)22(2,3)4/h5-6,11-13,15H,7-10H2,1-4H3,(H,23,28)
InChIKeyDYOZGKXPOZIOAM-UHFFFAOYSA-N
XLogP3.20
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (CID 46989368) is 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC(n4cc(C(C)(C)C)nn4)CC3)c2c1.
What is the InChIKey of 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is DYOZGKXPOZIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-5-6-18-16(11-14)17(12-20(28)23-18)21(29)26-9-7-15(8-10-26)27-13-19(24-25-27)22(2,3)4/h5-6,11-13,15H,7-10H2,1-4H3,(H,23,28).
What are the key properties of 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butyltriazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 46989368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).