4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

C17H14BrN3O — CID 982276

IUPAC4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCc1cc2n(n1)[C@H](c1cc(Br)ccc1O)Nc1ccccc1-2
InChIInChI=1S/C17H14BrN3O/c1-10-8-15-12-4-2-3-5-14(12)19-17(21(15)20-10)13-9-11(18)6-7-16(13)22/h2-9,17,19,22H,1H3/t17-/m1/s1
InChIKeyUMKYCAWCRFXCNS-QGZVFWFLSA-N
MW356.22 g/mol
LogP4.30
Rot. Bonds1

About 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 982276) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
PubChem CID982276
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCc1cc2n(n1)[C@H](c1cc(Br)ccc1O)Nc1ccccc1-2
InChIInChI=1S/C17H14BrN3O/c1-10-8-15-12-4-2-3-5-14(12)19-17(21(15)20-10)13-9-11(18)6-7-16(13)22/h2-9,17,19,22H,1H3/t17-/m1/s1
InChIKeyUMKYCAWCRFXCNS-QGZVFWFLSA-N
XLogP4.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(5S)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982265
4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095515
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
N,N-dimethyl-4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]aniline
CID 1095488
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
(5S)-2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095526
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158655
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3420775
(5S)-5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 848160
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
CID 1095748
(5R)-2-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135619010
4-tert-butyl-6-(2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,3-diol
CID 3158756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The IUPAC name of 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 982276) is 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is Cc1cc2n(n1)[C@H](c1cc(Br)ccc1O)Nc1ccccc1-2.
What is the InChIKey of 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The InChIKey is UMKYCAWCRFXCNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-10-8-15-12-4-2-3-5-14(12)19-17(21(15)20-10)13-9-11(18)6-7-16(13)22/h2-9,17,19,22H,1H3/t17-/m1/s1.
What are the key properties of 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol has a molecular weight of 356.22 g/mol, XLogP of 4.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 982276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).