7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C22H20N4O — CID 18918771

IUPAC7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1cccc2c1CCc1cnc(Nc3ccc4c(ccn4C)c3)nc1-2
InChIInChI=1S/C22H20N4O/c1-26-11-10-14-12-16(7-9-19(14)26)24-22-23-13-15-6-8-17-18(21(15)25-22)4-3-5-20(17)27-2/h3-5,7,9-13H,6,8H2,1-2H3,(H,23,24,25)
InChIKeyNVXQPKRXBSXXIC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.49
Rot. Bonds3

About 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 18918771) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID18918771
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1cccc2c1CCc1cnc(Nc3ccc4c(ccn4C)c3)nc1-2
InChIInChI=1S/C22H20N4O/c1-26-11-10-14-12-16(7-9-19(14)26)24-22-23-13-15-6-8-17-18(21(15)25-22)4-3-5-20(17)27-2/h3-5,7,9-13H,6,8H2,1-2H3,(H,23,24,25)
InChIKeyNVXQPKRXBSXXIC-UHFFFAOYSA-N
XLogP4.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 18918771) is 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is COc1cccc2c1CCc1cnc(Nc3ccc4c(ccn4C)c3)nc1-2.
What is the InChIKey of 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is NVXQPKRXBSXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26-11-10-14-12-16(7-9-19(14)26)24-22-23-13-15-6-8-17-18(21(15)25-22)4-3-5-20(17)27-2/h3-5,7,9-13H,6,8H2,1-2H3,(H,23,24,25).
What are the key properties of 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-methylindol-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 18918771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).