9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C28H27N3O4 — CID 70028143

IUPAC9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)-c2cc(OCc4ccccc4)ccc2CC3)cc(OC)c1OC
InChIInChI=1S/C28H27N3O4/c1-32-24-13-21(14-25(33-2)27(24)34-3)30-28-29-16-20-10-9-19-11-12-22(15-23(19)26(20)31-28)35-17-18-7-5-4-6-8-18/h4-8,11-16H,9-10,17H2,1-3H3,(H,29,30,31)
InChIKeyAULCCQXBKYGPRX-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.59
Rot. Bonds8

About 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 70028143) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID70028143
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)-c2cc(OCc4ccccc4)ccc2CC3)cc(OC)c1OC
InChIInChI=1S/C28H27N3O4/c1-32-24-13-21(14-25(33-2)27(24)34-3)30-28-29-16-20-10-9-19-11-12-22(15-23(19)26(20)31-28)35-17-18-7-5-4-6-8-18/h4-8,11-16H,9-10,17H2,1-3H3,(H,29,30,31)
InChIKeyAULCCQXBKYGPRX-UHFFFAOYSA-N
XLogP5.59
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4,5-trimethoxyanilino)-5,6-dihydrobenzo[h]quinazolin-9-ol
CID 57033343
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
CID 103278870
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
N-[3-[2-(dimethylamino)ethoxy]-4,5-dimethoxyphenyl]-9-methoxy-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 57172548
2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol
CID 57126257
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
4-N-[4-(benzylsulfonylmethyl)phenyl]-5-fluoro-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 58123153
CID 123516675
CID 123516675
2-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]-2,6-dimethylphenoxy]ethanol
CID 57289280
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904
5-[4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357979

Frequently Asked Questions

What is the IUPAC name of 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 70028143) is 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is COc1cc(Nc2ncc3c(n2)-c2cc(OCc4ccccc4)ccc2CC3)cc(OC)c1OC.
What is the InChIKey of 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is AULCCQXBKYGPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-32-24-13-21(14-25(33-2)27(24)34-3)30-28-29-16-20-10-9-19-11-12-22(15-23(19)26(20)31-28)35-17-18-7-5-4-6-8-18/h4-8,11-16H,9-10,17H2,1-3H3,(H,29,30,31).
What are the key properties of 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 469.54 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 70028143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).