6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine

C18H16N4O2 — CID 144711397

IUPAC6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SMILESCc1ccc2ncnc(NC3Cc4ccc([N+](=O)[O-])cc4C3)c2c1
InChIInChI=1S/C18H16N4O2/c1-11-2-5-17-16(6-11)18(20-10-19-17)21-14-7-12-3-4-15(22(23)24)9-13(12)8-14/h2-6,9-10,14H,7-8H2,1H3,(H,19,20,21)
InChIKeyXQUPQXAHDCVDLV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.43
Rot. Bonds3

About 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine

6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine (PubChem CID 144711397) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
PubChem CID144711397
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SMILESCc1ccc2ncnc(NC3Cc4ccc([N+](=O)[O-])cc4C3)c2c1
InChIInChI=1S/C18H16N4O2/c1-11-2-5-17-16(6-11)18(20-10-19-17)21-14-7-12-3-4-15(22(23)24)9-13(12)8-14/h2-6,9-10,14H,7-8H2,1H3,(H,19,20,21)
InChIKeyXQUPQXAHDCVDLV-UHFFFAOYSA-N
XLogP3.43
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(6-methylquinazolin-4-yl)amino]-4-nitrophenol
CID 21002451
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
N-(2-methylpiperidin-4-yl)-6-nitroquinazolin-4-amine
CID 106996165
2,2-dimethyl-3-[(6-nitroquinazolin-4-yl)amino]cyclobutan-1-ol
CID 114630070
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
CID 90446551
N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
CID 114695488
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-[2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 90446066
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinazolin-4-amine
CID 64589275
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
CID 143957176
3-methyl-4-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 66106875

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The IUPAC name of 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine (CID 144711397) is 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine is Cc1ccc2ncnc(NC3Cc4ccc([N+](=O)[O-])cc4C3)c2c1.
What is the InChIKey of 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The InChIKey is XQUPQXAHDCVDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-2-5-17-16(6-11)18(20-10-19-17)21-14-7-12-3-4-15(22(23)24)9-13(12)8-14/h2-6,9-10,14H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine has a molecular weight of 320.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-nitro-2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine is sourced from PubChem (CID 144711397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).