8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine

C19H19N3 — CID 155544071

IUPAC8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1CCCc2c(-c3cccc4ccccc34)nc(N)nc21
InChIInChI=1S/C19H19N3/c1-12-6-4-11-16-17(12)21-19(20)22-18(16)15-10-5-8-13-7-2-3-9-14(13)15/h2-3,5,7-10,12H,4,6,11H2,1H3,(H2,20,21,22)
InChIKeyRKCNBFBFPHJRCB-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.32
Rot. Bonds1

About 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine

8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 155544071) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID155544071
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1CCCc2c(-c3cccc4ccccc34)nc(N)nc21
InChIInChI=1S/C19H19N3/c1-12-6-4-11-16-17(12)21-19(20)22-18(16)15-10-5-8-13-7-2-3-9-14(13)15/h2-3,5,7-10,12H,4,6,11H2,1H3,(H2,20,21,22)
InChIKeyRKCNBFBFPHJRCB-UHFFFAOYSA-N
XLogP4.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 155544071) is 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine is CC1CCCc2c(-c3cccc4ccccc34)nc(N)nc21.
What is the InChIKey of 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is RKCNBFBFPHJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-6-4-11-16-17(12)21-19(20)22-18(16)15-10-5-8-13-7-2-3-9-14(13)15/h2-3,5,7-10,12H,4,6,11H2,1H3,(H2,20,21,22).
What are the key properties of 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine?
8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-naphthalen-1-yl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 155544071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).