2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol

C14H19N3O — CID 142558003

IUPAC2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol
SMILESCc1cc2nc(C(C)(C)O)c(N)c(N)c2cc1C
InChIInChI=1S/C14H19N3O/c1-7-5-9-10(6-8(7)2)17-13(14(3,4)18)12(16)11(9)15/h5-6,18H,16H2,1-4H3,(H2,15,17)
InChIKeyQGNNXHXZWWBKDN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds1

About 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol

2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol (PubChem CID 142558003) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol
PubChem CID142558003
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol
SMILESCc1cc2nc(C(C)(C)O)c(N)c(N)c2cc1C
InChIInChI=1S/C14H19N3O/c1-7-5-9-10(6-8(7)2)17-13(14(3,4)18)12(16)11(9)15/h5-6,18H,16H2,1-4H3,(H2,15,17)
InChIKeyQGNNXHXZWWBKDN-UHFFFAOYSA-N
XLogP2.24
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol?
The IUPAC name of 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol (CID 142558003) is 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol?
The canonical SMILES for 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol is Cc1cc2nc(C(C)(C)O)c(N)c(N)c2cc1C.
What is the InChIKey of 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol?
The InChIKey is QGNNXHXZWWBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-7-5-9-10(6-8(7)2)17-13(14(3,4)18)12(16)11(9)15/h5-6,18H,16H2,1-4H3,(H2,15,17).
What are the key properties of 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol?
2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diamino-6,7-dimethylquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 142558003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).