2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide

C24H38N4O2 — CID 11373352

IUPAC2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide
SMILESCOc1cc(NC(C)CCCNC(=O)C(N)C(C)C)c2nc(C(C)(C)C)ccc2c1
InChIInChI=1S/C24H38N4O2/c1-15(2)21(25)23(29)26-12-8-9-16(3)27-19-14-18(30-7)13-17-10-11-20(24(4,5)6)28-22(17)19/h10-11,13-16,21,27H,8-9,12,25H2,1-7H3,(H,26,29)
InChIKeyOXYALILUFPHFPN-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.22
Rot. Bonds9

About 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide

2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide (PubChem CID 11373352) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide
PubChem CID11373352
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide
SMILESCOc1cc(NC(C)CCCNC(=O)C(N)C(C)C)c2nc(C(C)(C)C)ccc2c1
InChIInChI=1S/C24H38N4O2/c1-15(2)21(25)23(29)26-12-8-9-16(3)27-19-14-18(30-7)13-17-10-11-20(24(4,5)6)28-22(17)19/h10-11,13-16,21,27H,8-9,12,25H2,1-7H3,(H,26,29)
InChIKeyOXYALILUFPHFPN-UHFFFAOYSA-N
XLogP4.22
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide (CID 11373352) is 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide is COc1cc(NC(C)CCCNC(=O)C(N)C(C)C)c2nc(C(C)(C)C)ccc2c1.
What is the InChIKey of 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide?
The InChIKey is OXYALILUFPHFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-15(2)21(25)23(29)26-12-8-9-16(3)27-19-14-18(30-7)13-17-10-11-20(24(4,5)6)28-22(17)19/h10-11,13-16,21,27H,8-9,12,25H2,1-7H3,(H,26,29).
What are the key properties of 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide?
2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide has a molecular weight of 414.59 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentyl]-3-methylbutanamide is sourced from PubChem (CID 11373352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).