7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one

C16H12ClN5O — CID 153154315

IUPAC7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccc3[nH]ncc3c2)c2cc(Cl)ccc12
InChIInChI=1S/C16H12ClN5O/c1-18-15-12-4-2-10(17)7-14(12)22(16(23)20-15)11-3-5-13-9(6-11)8-19-21-13/h2-8H,1H3,(H,19,21)(H,18,20,23)
InChIKeyWBCAASUDLZNZMM-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.96
Rot. Bonds2

About 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one

7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one (PubChem CID 153154315) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one
PubChem CID153154315
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccc3[nH]ncc3c2)c2cc(Cl)ccc12
InChIInChI=1S/C16H12ClN5O/c1-18-15-12-4-2-10(17)7-14(12)22(16(23)20-15)11-3-5-13-9(6-11)8-19-21-13/h2-8H,1H3,(H,19,21)(H,18,20,23)
InChIKeyWBCAASUDLZNZMM-UHFFFAOYSA-N
XLogP2.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one?
The IUPAC name of 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one (CID 153154315) is 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one.
What is the SMILES notation for 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one?
The canonical SMILES for 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one is CNc1nc(=O)n(-c2ccc3[nH]ncc3c2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one?
The InChIKey is WBCAASUDLZNZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-18-15-12-4-2-10(17)7-14(12)22(16(23)20-15)11-3-5-13-9(6-11)8-19-21-13/h2-8H,1H3,(H,19,21)(H,18,20,23).
What are the key properties of 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one?
7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one has a molecular weight of 325.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1H-indazol-5-yl)-4-(methylamino)quinazolin-2-one is sourced from PubChem (CID 153154315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).