1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline

C26H22N2O2 — CID 3118877

IUPAC1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline
SMILESCOc1ccccc1C1=NC(c2ccccc2OC)c2c(ccc3ccccc23)N1
InChIInChI=1S/C26H22N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16,25H,1-2H3,(H,27,28)
InChIKeyFHYNXIBZVWZTLK-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.82
Rot. Bonds4

About 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline

1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline (PubChem CID 3118877) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline.

Molecular Properties

Compound Name1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline
PubChem CID3118877
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline
SMILESCOc1ccccc1C1=NC(c2ccccc2OC)c2c(ccc3ccccc23)N1
InChIInChI=1S/C26H22N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16,25H,1-2H3,(H,27,28)
InChIKeyFHYNXIBZVWZTLK-UHFFFAOYSA-N
XLogP5.82
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1H-perimidine
CID 801625
2-(4-methoxyphenyl)-1H-perimidine
CID 3149395
N-(3,4-dimethoxyphenyl)benzo[cd]indol-2-amine
CID 759536
2-(3-methoxyphenyl)-1H-perimidine
CID 801496
Perimidine, 2-(o-methoxyphenyl)-1-methyl-
CID 3047475
N-(3-methoxyphenyl)-2-benzo[cd]indolamine
CID 745301
N-(4-methoxyphenyl)benzo[cd]indol-2-amine
CID 759535
2-(4-methoxyphenyl)-1H-benzo[h]quinazoline-4-thione
CID 860210
18-(3-Methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 25109888
15,18-Bis(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 44634504
1-Naphthamidine, N-ethyl-4-methoxy-N-(o-tolyl)-, hydrochloride
CID 45902
Perimidine, 2-(p-methoxyphenyl)-1-methyl-
CID 3042258

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline?
The IUPAC name of 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline (CID 3118877) is 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline.
What is the SMILES notation for 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline?
The canonical SMILES for 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline is COc1ccccc1C1=NC(c2ccccc2OC)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline?
The InChIKey is FHYNXIBZVWZTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16,25H,1-2H3,(H,27,28).
What are the key properties of 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline?
1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline has a molecular weight of 394.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyphenyl)-1,4-dihydrobenzo[f]quinazoline is sourced from PubChem (CID 3118877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).