N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine

C15H18N4O — CID 103278870

IUPACN'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(c1)-c1nc(NCCN)ncc1CC2
InChIInChI=1S/C15H18N4O/c1-20-12-5-4-10-2-3-11-9-18-15(17-7-6-16)19-14(11)13(10)8-12/h4-5,8-9H,2-3,6-7,16H2,1H3,(H,17,18,19)
InChIKeyBXSYMLQTYKCMCZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.62
Rot. Bonds4

About N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine

N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine (PubChem CID 103278870) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
PubChem CID103278870
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2c(c1)-c1nc(NCCN)ncc1CC2
InChIInChI=1S/C15H18N4O/c1-20-12-5-4-10-2-3-11-9-18-15(17-7-6-16)19-14(11)13(10)8-12/h4-5,8-9H,2-3,6-7,16H2,1H3,(H,17,18,19)
InChIKeyBXSYMLQTYKCMCZ-UHFFFAOYSA-N
XLogP1.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
N-cyclopropyl-8-methoxy-5H-indeno[1,2-d]pyrimidin-2-amine
CID 79367720
9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 70028143
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
CID 115505267
2-(3,4,5-trimethoxyanilino)-5,6-dihydrobenzo[h]quinazolin-9-ol
CID 57033343
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904
9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
CID 102237047
N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 103278941
N-(1,3-benzodioxol-5-yl)-8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 18918792
4-N-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-1-N-(4-nitrophenyl)benzene-1,4-diamine
CID 156788594
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
9-methoxy-6,6-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]phenyl]-5H-benzo[h]quinazolin-2-amine
CID 57162990

Frequently Asked Questions

What is the IUPAC name of N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine (CID 103278870) is N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine is COc1ccc2c(c1)-c1nc(NCCN)ncc1CC2.
What is the InChIKey of N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine?
The InChIKey is BXSYMLQTYKCMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-12-5-4-10-2-3-11-9-18-15(17-7-6-16)19-14(11)13(10)8-12/h4-5,8-9H,2-3,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine?
N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 103278870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).