2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide

C16H20N4O2 — CID 3724274

IUPAC2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
SMILESCOc1ccc2nc(C=NNC(=O)C(N)C(C)C)ccc2c1
InChIInChI=1S/C16H20N4O2/c1-10(2)15(17)16(21)20-18-9-12-5-4-11-8-13(22-3)6-7-14(11)19-12/h4-10,15H,17H2,1-3H3,(H,20,21)
InChIKeyXPAHTEPWLHPKHC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.68
Rot. Bonds5

About 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide

2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide (PubChem CID 3724274) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
PubChem CID3724274
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
SMILESCOc1ccc2nc(C=NNC(=O)C(N)C(C)C)ccc2c1
InChIInChI=1S/C16H20N4O2/c1-10(2)15(17)16(21)20-18-9-12-5-4-11-8-13(22-3)6-7-14(11)19-12/h4-10,15H,17H2,1-3H3,(H,20,21)
InChIKeyXPAHTEPWLHPKHC-UHFFFAOYSA-N
XLogP1.68
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
CID 6889773
tert-butyl N-[(2R)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 92506828
tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
CID 3418737
3-(6-methoxyquinolin-2-yl)prop-2-enamide
CID 175848652
4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
2-amino-3-methyl-N-[(E)-quinoxalin-6-ylmethylideneamino]butanamide;hydrochloride
CID 163331290
2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride
CID 73307558
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136662783
N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
CID 9120780
(2S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 29039173

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide (CID 3724274) is 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide is COc1ccc2nc(C=NNC(=O)C(N)C(C)C)ccc2c1.
What is the InChIKey of 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide?
The InChIKey is XPAHTEPWLHPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)15(17)16(21)20-18-9-12-5-4-11-8-13(22-3)6-7-14(11)19-12/h4-10,15H,17H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide?
2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide has a molecular weight of 300.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide is sourced from PubChem (CID 3724274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).