bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride

C12H17ClN4O8 — CID 160597532

IUPACbis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride
SMILESCl.O=[N+]([O-])O.O=[N+]([O-])O.OCC(O)CNc1ccnc2ccccc12
InChIInChI=1S/C12H14N2O2.ClH.2HNO3/c15-8-9(16)7-14-12-5-6-13-11-4-2-1-3-10(11)12;;2*2-1(3)4/h1-6,9,15-16H,7-8H2,(H,13,14);1H;2*(H,2,3,4)
InChIKeyRDVIZRKYYAOGFN-UHFFFAOYSA-N
MW380.74 g/mol
LogP0.73
Rot. Bonds4

About bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride

bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride (PubChem CID 160597532) has the molecular formula C12H17ClN4O8 and a molecular weight of 380.74 g/mol. Its IUPAC name is bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride.

Molecular Properties

Compound Namebis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride
PubChem CID160597532
Molecular FormulaC12H17ClN4O8
Molecular Weight380.74 g/mol
Exact Mass380.07
IUPAC Namebis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride
SMILESCl.O=[N+]([O-])O.O=[N+]([O-])O.OCC(O)CNc1ccnc2ccccc12
InChIInChI=1S/C12H14N2O2.ClH.2HNO3/c15-8-9(16)7-14-12-5-6-13-11-4-2-1-3-10(11)12;;2*2-1(3)4/h1-6,9,15-16H,7-8H2,(H,13,14);1H;2*(H,2,3,4)
InChIKeyRDVIZRKYYAOGFN-UHFFFAOYSA-N
XLogP0.73
TPSA192.12 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
N-(2-methylbutyl)quinolin-4-amine
CID 62694785
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-ethylquinolin-4-amine
CID 15306588
N-(2-chloro-3-ethylpentyl)quinolin-4-amine
CID 106287021
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
CID 18433090

Frequently Asked Questions

What is the IUPAC name of bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride?
The IUPAC name of bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride (CID 160597532) is bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride.
What is the SMILES notation for bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride?
The canonical SMILES for bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride is Cl.O=[N+]([O-])O.O=[N+]([O-])O.OCC(O)CNc1ccnc2ccccc12.
What is the InChIKey of bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride?
The InChIKey is RDVIZRKYYAOGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH.2HNO3/c15-8-9(16)7-14-12-5-6-13-11-4-2-1-3-10(11)12;;2*2-1(3)4/h1-6,9,15-16H,7-8H2,(H,13,14);1H;2*(H,2,3,4).
What are the key properties of bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride?
bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride has a molecular weight of 380.74 g/mol, XLogP of 0.73, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride is sourced from PubChem (CID 160597532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).