2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol

C22H23N3O3 — CID 57126257

IUPAC2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol
SMILESCOc1ccc2c(c1)-c1nc(Nc3ccc(O)c(OC)c3)ncc1CC2(C)C
InChIInChI=1S/C22H23N3O3/c1-22(2)11-13-12-23-21(24-14-5-8-18(26)19(9-14)28-4)25-20(13)16-10-15(27-3)6-7-17(16)22/h5-10,12,26H,11H2,1-4H3,(H,23,24,25)
InChIKeyBCVTZDXZDOZFLM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.44
Rot. Bonds4

About 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol

2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol (PubChem CID 57126257) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol
PubChem CID57126257
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol
SMILESCOc1ccc2c(c1)-c1nc(Nc3ccc(O)c(OC)c3)ncc1CC2(C)C
InChIInChI=1S/C22H23N3O3/c1-22(2)11-13-12-23-21(24-14-5-8-18(26)19(9-14)28-4)25-20(13)16-10-15(27-3)6-7-17(16)22/h5-10,12,26H,11H2,1-4H3,(H,23,24,25)
InChIKeyBCVTZDXZDOZFLM-UHFFFAOYSA-N
XLogP4.44
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]ethanone
CID 57133039
N-[3-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]formamide
CID 57163912
9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine
CID 57241814
2-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]-2,6-dimethylphenoxy]ethanol
CID 57289280
3-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]benzenecarboximidamide
CID 57195545
9-methoxy-6,6-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]phenyl]-5H-benzo[h]quinazolin-2-amine
CID 57162990
N-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 57119064
2-[4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenoxy]ethyl 2-methylbenzenesulfonate
CID 57223703
N-[4-[2-(dimethylamino)ethoxy]phenyl]-6,6-diethyl-9-methoxy-5H-benzo[h]quinazolin-2-amine
CID 57044705
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol?
The IUPAC name of 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol (CID 57126257) is 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol.
What is the SMILES notation for 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol?
The canonical SMILES for 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol is COc1ccc2c(c1)-c1nc(Nc3ccc(O)c(OC)c3)ncc1CC2(C)C.
What is the InChIKey of 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol?
The InChIKey is BCVTZDXZDOZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-22(2)11-13-12-23-21(24-14-5-8-18(26)19(9-14)28-4)25-20(13)16-10-15(27-3)6-7-17(16)22/h5-10,12,26H,11H2,1-4H3,(H,23,24,25).
What are the key properties of 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol?
2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol has a molecular weight of 377.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(9-methoxy-6,6-dimethyl-5H-benzo[h]quinazolin-2-yl)amino]phenol is sourced from PubChem (CID 57126257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).