2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline

C17H15ClN4O2 — CID 141099167

IUPAC2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline
SMILESCOc1cc2c(cc1OC)N(c1ccc3[nH]ncc3c1)C(Cl)N=C2
InChIInChI=1S/C17H15ClN4O2/c1-23-15-6-11-8-19-17(18)22(14(11)7-16(15)24-2)12-3-4-13-10(5-12)9-20-21-13/h3-9,17H,1-2H3,(H,20,21)
InChIKeyJKXXORZAVFLCTK-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.67
Rot. Bonds3

About 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline

2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline (PubChem CID 141099167) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline.

Molecular Properties

Compound Name2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline
PubChem CID141099167
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline
SMILESCOc1cc2c(cc1OC)N(c1ccc3[nH]ncc3c1)C(Cl)N=C2
InChIInChI=1S/C17H15ClN4O2/c1-23-15-6-11-8-19-17(18)22(14(11)7-16(15)24-2)12-3-4-13-10(5-12)9-20-21-13/h3-9,17H,1-2H3,(H,20,21)
InChIKeyJKXXORZAVFLCTK-UHFFFAOYSA-N
XLogP3.67
TPSA62.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4aS,8aR)-4-(3-chloro-4-methoxyphenyl)-2-(1H-indazol-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one;hydrochloride
CID 69489641
2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
CID 91063844
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
(1S,2R,6S,7R)-4-(1H-indazol-5-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 68547482
(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone
CID 121485512
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
(5-methoxy-1H-indazol-6-yl)boronic acid
CID 99942155
(6-methoxy-1H-indazol-5-yl)methanamine
CID 117109494
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
1H-indazole-5-thiolate
CID 51922109
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
5-(methoxymethyl)-1H-indazole
CID 123206066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline?
The IUPAC name of 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline (CID 141099167) is 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline.
What is the SMILES notation for 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline?
The canonical SMILES for 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline is COc1cc2c(cc1OC)N(c1ccc3[nH]ncc3c1)C(Cl)N=C2.
What is the InChIKey of 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline?
The InChIKey is JKXXORZAVFLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-23-15-6-11-8-19-17(18)22(14(11)7-16(15)24-2)12-3-4-13-10(5-12)9-20-21-13/h3-9,17H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline?
2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline has a molecular weight of 342.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline is sourced from PubChem (CID 141099167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).