2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C18H21N3 — CID 65405029

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2CCc3ccccc32)nc2c1CCCC2
InChIInChI=1S/C18H21N3/c1-19-17-15-8-4-5-9-16(15)20-18(21-17)14-11-10-12-6-2-3-7-13(12)14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,19,20,21)
InChIKeyYDAWZDROPHPGFG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.48
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 65405029) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID65405029
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2CCc3ccccc32)nc2c1CCCC2
InChIInChI=1S/C18H21N3/c1-19-17-15-8-4-5-9-16(15)20-18(21-17)14-11-10-12-6-2-3-7-13(12)14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,19,20,21)
InChIKeyYDAWZDROPHPGFG-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 65405029) is 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(C2CCc3ccccc32)nc2c1CCCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is YDAWZDROPHPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-19-17-15-8-4-5-9-16(15)20-18(21-17)14-11-10-12-6-2-3-7-13(12)14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,19,20,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 65405029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).