3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide

C15H19ClN4O — CID 76911583

IUPAC3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCC(N)=NO)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN4O/c1-10(2)20(8-6-15(17)19-21)14-5-7-18-13-9-11(16)3-4-12(13)14/h3-5,7,9-10,21H,6,8H2,1-2H3,(H2,17,19)
InChIKeyDAXRZJQRMRSYNY-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.24
Rot. Bonds5

About 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide

3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 76911583) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID76911583
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCC(N)=NO)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN4O/c1-10(2)20(8-6-15(17)19-21)14-5-7-18-13-9-11(16)3-4-12(13)14/h3-5,7,9-10,21H,6,8H2,1-2H3,(H2,17,19)
InChIKeyDAXRZJQRMRSYNY-UHFFFAOYSA-N
XLogP3.24
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide
CID 76911452
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
3-[(7-chloroquinolin-4-yl)-methylamino]-2-methylpropanimidamide
CID 54990454
N'-hydroxy-3-[(4-methylpyrimidin-2-yl)-propan-2-ylamino]propanimidamide
CID 55152105
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
3-[(5-bromoisoquinolin-1-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 106537048
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide (CID 76911583) is 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide is CC(C)N(CCC(N)=NO)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is DAXRZJQRMRSYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(2)20(8-6-15(17)19-21)14-5-7-18-13-9-11(16)3-4-12(13)14/h3-5,7,9-10,21H,6,8H2,1-2H3,(H2,17,19).
What are the key properties of 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide?
3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 306.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).