8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C20H19N3O2 — CID 18918768

IUPAC8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2CC3)cc1
InChIInChI=1S/C20H19N3O2/c1-24-16-7-5-15(6-8-16)22-20-21-12-14-4-3-13-11-17(25-2)9-10-18(13)19(14)23-20/h5-12H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyIHMPDBNGOPKRDM-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.00
Rot. Bonds4

About 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 18918768) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID18918768
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2CC3)cc1
InChIInChI=1S/C20H19N3O2/c1-24-16-7-5-15(6-8-16)22-20-21-12-14-4-3-13-11-17(25-2)9-10-18(13)19(14)23-20/h5-12H,3-4H2,1-2H3,(H,21,22,23)
InChIKeyIHMPDBNGOPKRDM-UHFFFAOYSA-N
XLogP4.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904
4-N-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-1-N-(4-nitrophenyl)benzene-1,4-diamine
CID 156788594
N-(1,3-benzodioxol-5-yl)-8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine;hydrochloride
CID 18918792
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]-4-nitrobenzamide
CID 156788599
1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone
CID 57133039
N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
CID 103278870
2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol
CID 57126257
8-(3-methoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-amine
CID 148788828
2-(3,4,5-trimethoxyanilino)-5,6-dihydrobenzo[h]quinazolin-9-ol
CID 57033343
N-[4-[2-(dimethylamino)ethoxy]phenyl]-6,6-diethyl-9-methoxy-5H-benzo[h]quinazolin-2-amine
CID 57044705
9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 70028143
N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide
CID 46890285

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 18918768) is 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2CC3)cc1.
What is the InChIKey of 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is IHMPDBNGOPKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-16-7-5-15(6-8-16)22-20-21-12-14-4-3-13-11-17(25-2)9-10-18(13)19(14)23-20/h5-12H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 333.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 18918768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).