N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine

C21H18N4O — CID 57118800

IUPACN-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1ccc2c(c1)-c1nc(Nc3ccc4[nH]ccc4c3)ncc1CC2
InChIInChI=1S/C21H18N4O/c1-26-17-6-4-13-2-3-15-12-23-21(25-20(15)18(13)11-17)24-16-5-7-19-14(10-16)8-9-22-19/h4-12,22H,2-3H2,1H3,(H,23,24,25)
InChIKeyWQIRMJNNIIQWMT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.48
Rot. Bonds3

About N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine

N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 57118800) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID57118800
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1ccc2c(c1)-c1nc(Nc3ccc4[nH]ccc4c3)ncc1CC2
InChIInChI=1S/C21H18N4O/c1-26-17-6-4-13-2-3-15-12-23-21(25-20(15)18(13)11-17)24-16-5-7-19-14(10-16)8-9-22-19/h4-12,22H,2-3H2,1H3,(H,23,24,25)
InChIKeyWQIRMJNNIIQWMT-UHFFFAOYSA-N
XLogP4.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 57118800) is N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine is COc1ccc2c(c1)-c1nc(Nc3ccc4[nH]ccc4c3)ncc1CC2.
What is the InChIKey of N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is WQIRMJNNIIQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-17-6-4-13-2-3-15-12-23-21(25-20(15)18(13)11-17)24-16-5-7-19-14(10-16)8-9-22-19/h4-12,22H,2-3H2,1H3,(H,23,24,25).
What are the key properties of N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine?
N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 57118800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).