(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide

C17H22N4O2 — CID 6889773

IUPAC(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
SMILESCOc1ccc2nc(/C=N/NC(=O)[C@@H](N)CC(C)C)ccc2c1
InChIInChI=1S/C17H22N4O2/c1-11(2)8-15(18)17(22)21-19-10-13-5-4-12-9-14(23-3)6-7-16(12)20-13/h4-7,9-11,15H,8,18H2,1-3H3,(H,21,22)/b19-10+/t15-/m0/s1
InChIKeyZUQRSDCCSHWVAO-RPJLVFAOSA-N
MW314.39 g/mol
LogP2.07
Rot. Bonds6

About (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide

(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide (PubChem CID 6889773) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
PubChem CID6889773
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
SMILESCOc1ccc2nc(/C=N/NC(=O)[C@@H](N)CC(C)C)ccc2c1
InChIInChI=1S/C17H22N4O2/c1-11(2)8-15(18)17(22)21-19-10-13-5-4-12-9-14(23-3)6-7-16(12)20-13/h4-7,9-11,15H,8,18H2,1-3H3,(H,21,22)/b19-10+/t15-/m0/s1
InChIKeyZUQRSDCCSHWVAO-RPJLVFAOSA-N
XLogP2.07
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.07
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

2-amino-N-[(6-methoxyquinolin-2-yl)methylideneamino]-3-methylbutanamide
CID 3724274
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
(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
CID 122490832
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-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136742633
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136662783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide (CID 6889773) is (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide is COc1ccc2nc(/C=N/NC(=O)[C@@H](N)CC(C)C)ccc2c1.
What is the InChIKey of (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide?
The InChIKey is ZUQRSDCCSHWVAO-RPJLVFAOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)8-15(18)17(22)21-19-10-13-5-4-12-9-14(23-3)6-7-16(12)20-13/h4-7,9-11,15H,8,18H2,1-3H3,(H,21,22)/b19-10+/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide?
(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide has a molecular weight of 314.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide is sourced from PubChem (CID 6889773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).