2-propan-2-ylbenzo[g]quinazolin-4-amine

C15H15N3 — CID 106583882

IUPAC2-propan-2-ylbenzo[g]quinazolin-4-amine
SMILESCC(C)c1nc(N)c2cc3ccccc3cc2n1
InChIInChI=1S/C15H15N3/c1-9(2)15-17-13-8-11-6-4-3-5-10(11)7-12(13)14(16)18-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyJBBVNFDRSXZTJI-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.49
Rot. Bonds1

About 2-propan-2-ylbenzo[g]quinazolin-4-amine

2-propan-2-ylbenzo[g]quinazolin-4-amine (PubChem CID 106583882) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-propan-2-ylbenzo[g]quinazolin-4-amine.

Molecular Properties

Compound Name2-propan-2-ylbenzo[g]quinazolin-4-amine
PubChem CID106583882
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-propan-2-ylbenzo[g]quinazolin-4-amine
SMILESCC(C)c1nc(N)c2cc3ccccc3cc2n1
InChIInChI=1S/C15H15N3/c1-9(2)15-17-13-8-11-6-4-3-5-10(11)7-12(13)14(16)18-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyJBBVNFDRSXZTJI-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-chlorobenzo[g]quinazolin-4-amine
CID 134830361
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine
CID 84640203
4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967290
2-methylpropane;4-propan-2-ylbenzo[g]quinoline
CID 168983890
2-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 99987929
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
ethane;naphthalen-2-amine
CID 70389802
anthracene;2-methylpropane
CID 142471530
1-naphthalen-2-ylethanamine
CID 3857145
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 29041458

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbenzo[g]quinazolin-4-amine?
The IUPAC name of 2-propan-2-ylbenzo[g]quinazolin-4-amine (CID 106583882) is 2-propan-2-ylbenzo[g]quinazolin-4-amine.
What is the SMILES notation for 2-propan-2-ylbenzo[g]quinazolin-4-amine?
The canonical SMILES for 2-propan-2-ylbenzo[g]quinazolin-4-amine is CC(C)c1nc(N)c2cc3ccccc3cc2n1.
What is the InChIKey of 2-propan-2-ylbenzo[g]quinazolin-4-amine?
The InChIKey is JBBVNFDRSXZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-9(2)15-17-13-8-11-6-4-3-5-10(11)7-12(13)14(16)18-15/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 2-propan-2-ylbenzo[g]quinazolin-4-amine?
2-propan-2-ylbenzo[g]quinazolin-4-amine has a molecular weight of 237.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbenzo[g]quinazolin-4-amine is sourced from PubChem (CID 106583882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).