1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C19H20N4 — CID 123511205

IUPAC1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC12CCC(c3c(-c4ncc5ccccc5n4)n[nH]c31)C2(C)C
InChIInChI=1S/C19H20N4/c1-18(2)12-8-9-19(18,3)16-14(12)15(22-23-16)17-20-10-11-6-4-5-7-13(11)21-17/h4-7,10,12H,8-9H2,1-3H3,(H,22,23)
InChIKeyFGPKDWXVIINKHE-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.19
Rot. Bonds1

About 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 123511205) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID123511205
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC12CCC(c3c(-c4ncc5ccccc5n4)n[nH]c31)C2(C)C
InChIInChI=1S/C19H20N4/c1-18(2)12-8-9-19(18,3)16-14(12)15(22-23-16)17-20-10-11-6-4-5-7-13(11)21-17/h4-7,10,12H,8-9H2,1-3H3,(H,22,23)
InChIKeyFGPKDWXVIINKHE-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 123511205) is 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC12CCC(c3c(-c4ncc5ccccc5n4)n[nH]c31)C2(C)C.
What is the InChIKey of 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is FGPKDWXVIINKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-18(2)12-8-9-19(18,3)16-14(12)15(22-23-16)17-20-10-11-6-4-5-7-13(11)21-17/h4-7,10,12H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 304.40 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-5-quinazolin-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 123511205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).