6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine

C22H16ClN5O — CID 10201092

IUPAC6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H16ClN5O/c1-29-17-6-2-13(3-7-17)21-26-20-8-4-15(23)11-18(20)22(27-21)25-16-5-9-19-14(10-16)12-24-28-19/h2-12H,1H3,(H,24,28)(H,25,26,27)
InChIKeyCZTNOUJBSXUQDZ-UHFFFAOYSA-N
MW401.86 g/mol
LogP5.58
Rot. Bonds4

About 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine

6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 10201092) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID10201092
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H16ClN5O/c1-29-17-6-2-13(3-7-17)21-26-20-8-4-15(23)11-18(20)22(27-21)25-16-5-9-19-14(10-16)12-24-28-19/h2-12H,1H3,(H,24,28)(H,25,26,27)
InChIKeyCZTNOUJBSXUQDZ-UHFFFAOYSA-N
XLogP5.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.86
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine (CID 10201092) is 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is CZTNOUJBSXUQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-29-17-6-2-13(3-7-17)21-26-20-8-4-15(23)11-18(20)22(27-21)25-16-5-9-19-14(10-16)12-24-28-19/h2-12H,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine?
6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 401.86 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 10201092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).