N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine

C14H17N5O2 — CID 114695488

IUPACN-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
SMILESCC1NCCCC1Nc1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H17N5O2/c1-9-12(3-2-6-15-9)18-14-11-7-10(19(20)21)4-5-13(11)16-8-17-14/h4-5,7-9,12,15H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyVPCVXDOQPKEWHS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.09
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine

N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine (PubChem CID 114695488) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
PubChem CID114695488
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
SMILESCC1NCCCC1Nc1ncnc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H17N5O2/c1-9-12(3-2-6-15-9)18-14-11-7-10(19(20)21)4-5-13(11)16-8-17-14/h4-5,7-9,12,15H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyVPCVXDOQPKEWHS-UHFFFAOYSA-N
XLogP2.09
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-methylpiperidin-4-yl)-6-nitroquinazolin-4-amine
CID 106996165
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinazolin-4-amine
CID 64589275
2,2-dimethyl-3-[(6-nitroquinazolin-4-yl)amino]cyclobutan-1-ol
CID 114630070
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
N-(1-cyclopropylbutan-2-yl)-6-nitroquinazolin-4-amine
CID 64589271
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 144711397
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416
1-cyclopropyl-N-(6-nitroquinazolin-4-yl)ethane-1,2-diamine
CID 65188725

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine?
The IUPAC name of N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine (CID 114695488) is N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine is CC1NCCCC1Nc1ncnc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine?
The InChIKey is VPCVXDOQPKEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-12(3-2-6-15-9)18-14-11-7-10(19(20)21)4-5-13(11)16-8-17-14/h4-5,7-9,12,15H,2-3,6H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine?
N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine has a molecular weight of 287.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine is sourced from PubChem (CID 114695488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).