(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C20H20BrN3O — CID 136877852

IUPAC(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C20H20BrN3O/c1-11-7-12(2)19-15(8-11)17-9-13(3)23-24(17)20(22-19)16-10-14(21)5-6-18(16)25-4/h5-10,20,22H,1-4H3/t20-/m1/s1
InChIKeyVGYCFGCNMOXPOY-HXUWFJFHSA-N
MW398.30 g/mol
LogP5.22
Rot. Bonds2

About (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 136877852) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID136877852
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21
InChIInChI=1S/C20H20BrN3O/c1-11-7-12(2)19-15(8-11)17-9-13(3)23-24(17)20(22-19)16-10-14(21)5-6-18(16)25-4/h5-10,20,22H,1-4H3/t20-/m1/s1
InChIKeyVGYCFGCNMOXPOY-HXUWFJFHSA-N
XLogP5.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline with MolForge

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Related Compounds

3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 848146
2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095727
methyl 4-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzoate
CID 848145
4-bromo-2-[(5S)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982265
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
2,7,9-trimethyl-5-[4-[(4-nitrophenyl)methoxy]phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4681939
(5R)-5-(4-methoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135814122
2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
CID 3878015
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4071688
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 136877852) is (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21.
What is the InChIKey of (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is VGYCFGCNMOXPOY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-11-7-12(2)19-15(8-11)17-9-13(3)23-24(17)20(22-19)16-10-14(21)5-6-18(16)25-4/h5-10,20,22H,1-4H3/t20-/m1/s1.
What are the key properties of (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
(5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 398.30 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-bromo-2-methoxyphenyl)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 136877852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).