N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide

C26H33N3O2 — CID 134547621

IUPACN-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide
SMILESCCN1CCC(c2cc(=O)n(CC)c3ccc(C(=O)N(C)C4=CCCC=C4)cc23)CC1
InChIInChI=1S/C26H33N3O2/c1-4-28-15-13-19(14-16-28)22-18-25(30)29(5-2)24-12-11-20(17-23(22)24)26(31)27(3)21-9-7-6-8-10-21/h7,9-12,17-19H,4-6,8,13-16H2,1-3H3
InChIKeyDQWSYIDTQIUGCB-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.53
Rot. Bonds5

About N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide

N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide (PubChem CID 134547621) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide
PubChem CID134547621
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide
SMILESCCN1CCC(c2cc(=O)n(CC)c3ccc(C(=O)N(C)C4=CCCC=C4)cc23)CC1
InChIInChI=1S/C26H33N3O2/c1-4-28-15-13-19(14-16-28)22-18-25(30)29(5-2)24-12-11-20(17-23(22)24)26(31)27(3)21-9-7-6-8-10-21/h7,9-12,17-19H,4-6,8,13-16H2,1-3H3
InChIKeyDQWSYIDTQIUGCB-UHFFFAOYSA-N
XLogP4.53
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide (CID 134547621) is N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide is CCN1CCC(c2cc(=O)n(CC)c3ccc(C(=O)N(C)C4=CCCC=C4)cc23)CC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide?
The InChIKey is DQWSYIDTQIUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-4-28-15-13-19(14-16-28)22-18-25(30)29(5-2)24-12-11-20(17-23(22)24)26(31)27(3)21-9-7-6-8-10-21/h7,9-12,17-19H,4-6,8,13-16H2,1-3H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide?
N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide is sourced from PubChem (CID 134547621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).