N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide

C20H17N3O2 — CID 2769015

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C20H17N3O2/c1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20/h2-5,8-12H,6-7H2,1H3,(H,21,22,23,24)
InChIKeyLTVQIFFBUBKSPP-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.50
Rot. Bonds3

About N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide (PubChem CID 2769015) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide
PubChem CID2769015
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C20H17N3O2/c1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20/h2-5,8-12H,6-7H2,1H3,(H,21,22,23,24)
InChIKeyLTVQIFFBUBKSPP-UHFFFAOYSA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide (CID 2769015) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
The InChIKey is LTVQIFFBUBKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-16-10-8-14(9-11-16)19(24)23-20-21-12-15-7-6-13-4-2-3-5-17(13)18(15)22-20/h2-5,8-12H,6-7H2,1H3,(H,21,22,23,24).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide has a molecular weight of 331.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 2769015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).