3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide

C14H17ClN4 — CID 54990454

IUPAC3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN4/c1-9(14(16)17)8-19(2)13-5-6-18-12-7-10(15)3-4-11(12)13/h3-7,9H,8H2,1-2H3,(H3,16,17)
InChIKeyJFBHXKPVYNVTQP-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.90
Rot. Bonds4

About 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide

3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide (PubChem CID 54990454) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
PubChem CID54990454
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN4/c1-9(14(16)17)8-19(2)13-5-6-18-12-7-10(15)3-4-11(12)13/h3-7,9H,8H2,1-2H3,(H3,16,17)
InChIKeyJFBHXKPVYNVTQP-UHFFFAOYSA-N
XLogP2.90
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[methyl(quinolin-4-yl)amino]propanimidamide
CID 54991600
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911583
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide
CID 54992289
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
2-methyl-3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79235329
7-chloro-N-[2-(2-chloroethoxy)ethyl]-N-methylquinolin-4-amine
CID 114242626

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide (CID 54990454) is 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide?
The InChIKey is JFBHXKPVYNVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9(14(16)17)8-19(2)13-5-6-18-12-7-10(15)3-4-11(12)13/h3-7,9H,8H2,1-2H3,(H3,16,17).
What are the key properties of 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide?
3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide has a molecular weight of 276.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 54990454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).