6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine

C13H14ClN3O — CID 75537562

IUPAC6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine
SMILESClc1ccc2nncc(NCC3CCCO3)c2c1
InChIInChI=1S/C13H14ClN3O/c14-9-3-4-12-11(6-9)13(8-16-17-12)15-7-10-2-1-5-18-10/h3-4,6,8,10H,1-2,5,7H2,(H,15,17)
InChIKeyLSHYGRYSZWMSBR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.87
Rot. Bonds3

About 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine

6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine (PubChem CID 75537562) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine
PubChem CID75537562
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine
SMILESClc1ccc2nncc(NCC3CCCO3)c2c1
InChIInChI=1S/C13H14ClN3O/c14-9-3-4-12-11(6-9)13(8-16-17-12)15-7-10-2-1-5-18-10/h3-4,6,8,10H,1-2,5,7H2,(H,15,17)
InChIKeyLSHYGRYSZWMSBR-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
5-N-(4-chlorophenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944629
3-N-(3-chlorophenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944446
5-chloro-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 2915714
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102
2-N-(4-chloro-2-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729091
6-chloro-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinoline-4-carbonitrile
CID 133426570
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912686
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300825
3-chloro-4-(oxolan-2-ylmethylamino)benzenecarbothioamide
CID 55182376

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine?
The IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine (CID 75537562) is 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine?
The canonical SMILES for 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine is Clc1ccc2nncc(NCC3CCCO3)c2c1.
What is the InChIKey of 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine?
The InChIKey is LSHYGRYSZWMSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-9-3-4-12-11(6-9)13(8-16-17-12)15-7-10-2-1-5-18-10/h3-4,6,8,10H,1-2,5,7H2,(H,15,17).
What are the key properties of 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine?
6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine is sourced from PubChem (CID 75537562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).