2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide

C25H29N3O2 — CID 134537390

IUPAC2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C(C)C)cc3N)ccc21
InChIInChI=1S/C25H29N3O2/c1-5-28-23-11-9-18(13-21(23)20(14-24(28)29)16-6-7-16)27(4)25(30)19-10-8-17(15(2)3)12-22(19)26/h8-16H,5-7,26H2,1-4H3
InChIKeyVAXCPMGPTQGFHF-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.88
Rot. Bonds5

About 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide

2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide (PubChem CID 134537390) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide
PubChem CID134537390
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C(C)C)cc3N)ccc21
InChIInChI=1S/C25H29N3O2/c1-5-28-23-11-9-18(13-21(23)20(14-24(28)29)16-6-7-16)27(4)25(30)19-10-8-17(15(2)3)12-22(19)26/h8-16H,5-7,26H2,1-4H3
InChIKeyVAXCPMGPTQGFHF-UHFFFAOYSA-N
XLogP4.88
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.88
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-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide?
The IUPAC name of 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide (CID 134537390) is 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide is CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C(C)C)cc3N)ccc21.
What is the InChIKey of 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide?
The InChIKey is VAXCPMGPTQGFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-5-28-23-11-9-18(13-21(23)20(14-24(28)29)16-6-7-16)27(4)25(30)19-10-8-17(15(2)3)12-22(19)26/h8-16H,5-7,26H2,1-4H3.
What are the key properties of 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide?
2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide has a molecular weight of 403.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 134537390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).