6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one

C16H10Cl2N4O — CID 154800318

IUPAC6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccc3[nH]ncc3c2)nc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C16H10Cl2N4O/c17-11-5-10-14(6-12(11)18)20-15(21-16(10)23)4-8-1-2-13-9(3-8)7-19-22-13/h1-3,5-7H,4H2,(H,19,22)(H,20,21,23)
InChIKeyPVHSLRVSCSWFIY-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.70
Rot. Bonds2

About 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one

6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one (PubChem CID 154800318) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one
PubChem CID154800318
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccc3[nH]ncc3c2)nc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C16H10Cl2N4O/c17-11-5-10-14(6-12(11)18)20-15(21-16(10)23)4-8-1-2-13-9(3-8)7-19-22-13/h1-3,5-7H,4H2,(H,19,22)(H,20,21,23)
InChIKeyPVHSLRVSCSWFIY-UHFFFAOYSA-N
XLogP3.70
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid
CID 136650821
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
2-(1H-indazol-5-yl)acetic acid
CID 39103838
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
2,7-bis(chloromethyl)-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
CID 135437105
benzyl N-[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-6-yl]carbamate
CID 135929573
5-(methoxymethyl)-1H-indazole
CID 123206066
8-[(3,4-dichlorophenyl)methyl]-7H-purine
CID 114402573
2-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613807
5-[[6-[(3,4-diethylphenyl)methyl]-2-pyridinyl]methyl]-1H-indazole
CID 143805380
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one (CID 154800318) is 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one is O=c1[nH]c(Cc2ccc3[nH]ncc3c2)nc2cc(Cl)c(Cl)cc12.
What is the InChIKey of 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one?
The InChIKey is PVHSLRVSCSWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c17-11-5-10-14(6-12(11)18)20-15(21-16(10)23)4-8-1-2-13-9(3-8)7-19-22-13/h1-3,5-7H,4H2,(H,19,22)(H,20,21,23).
What are the key properties of 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one?
6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one has a molecular weight of 345.19 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 154800318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).