2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide

C25H27N3O2 — CID 134537501

IUPAC2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C4CC4)cc3N)ccc21
InChIInChI=1S/C25H27N3O2/c1-3-28-23-11-9-18(13-21(23)20(14-24(28)29)16-6-7-16)27(2)25(30)19-10-8-17(12-22(19)26)15-4-5-15/h8-16H,3-7,26H2,1-2H3
InChIKeySGOARPZCOXRAIL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.64
Rot. Bonds5

About 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide

2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide (PubChem CID 134537501) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
PubChem CID134537501
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C4CC4)cc3N)ccc21
InChIInChI=1S/C25H27N3O2/c1-3-28-23-11-9-18(13-21(23)20(14-24(28)29)16-6-7-16)27(2)25(30)19-10-8-17(12-22(19)26)15-4-5-15/h8-16H,3-7,26H2,1-2H3
InChIKeySGOARPZCOXRAIL-UHFFFAOYSA-N
XLogP4.64
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide (CID 134537501) is 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide is CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C4CC4)cc3N)ccc21.
What is the InChIKey of 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
The InChIKey is SGOARPZCOXRAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-28-23-11-9-18(13-21(23)20(14-24(28)29)16-6-7-16)27(2)25(30)19-10-8-17(12-22(19)26)15-4-5-15/h8-16H,3-7,26H2,1-2H3.
What are the key properties of 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide?
2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide is sourced from PubChem (CID 134537501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).