2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol

C17H16ClN3O2 — CID 95802797

IUPAC2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol
SMILESCOc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1
InChIInChI=1S/C17H16ClN3O2/c1-23-11-3-5-13(15(22)9-11)17-20-14-8-10(18)2-4-12(14)16-19-6-7-21(16)17/h2-5,8-9,17,20,22H,6-7H2,1H3/t17-/m1/s1
InChIKeySWDBLYDCUWPEKD-QGZVFWFLSA-N
MW329.79 g/mol
LogP3.24
Rot. Bonds2

About 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol

2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol (PubChem CID 95802797) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol
PubChem CID95802797
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol
SMILESCOc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1
InChIInChI=1S/C17H16ClN3O2/c1-23-11-3-5-13(15(22)9-11)17-20-14-8-10(18)2-4-12(14)16-19-6-7-21(16)17/h2-5,8-9,17,20,22H,6-7H2,1H3/t17-/m1/s1
InChIKeySWDBLYDCUWPEKD-QGZVFWFLSA-N
XLogP3.24
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol with MolForge

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Related Compounds

[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol
CID 95802801
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
CID 3878015
8-methoxy-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
CID 118730100
3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
N-(4-chlorophenyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18728030
2-(6-chloropyridazin-3-yl)-5-methoxyphenol
CID 135731737
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
CID 134693745
5-methoxy-2-(8,13,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),11,14-heptaen-9-yl)phenol
CID 136645500
2-[9a-(trifluoromethyl)-1,2,3,5,6,9-hexahydroimidazo[1,2-d][1,4]diazepin-8-yl]-5-methoxyphenol
CID 135753535
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol?
The IUPAC name of 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol (CID 95802797) is 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol?
The canonical SMILES for 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol is COc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1.
What is the InChIKey of 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol?
The InChIKey is SWDBLYDCUWPEKD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-23-11-3-5-13(15(22)9-11)17-20-14-8-10(18)2-4-12(14)16-19-6-7-21(16)17/h2-5,8-9,17,20,22H,6-7H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol?
2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol has a molecular weight of 329.79 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-5-methoxyphenol is sourced from PubChem (CID 95802797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).