4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride

C16H14Cl2N4 — CID 18932794

IUPAC4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
SMILESCl.Nc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C16H13ClN4.ClH/c17-11-2-1-10-5-6-21(15(10)7-11)16-13-8-12(18)3-4-14(13)19-9-20-16;/h1-4,7-9H,5-6,18H2;1H
InChIKeyUFQUHTJSQABMJT-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.98
Rot. Bonds1

About 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride

4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride (PubChem CID 18932794) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride.

Molecular Properties

Compound Name4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
PubChem CID18932794
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
SMILESCl.Nc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C16H13ClN4.ClH/c17-11-2-1-10-5-6-21(15(10)7-11)16-13-8-12(18)3-4-14(13)19-9-20-16;/h1-4,7-9H,5-6,18H2;1H
InChIKeyUFQUHTJSQABMJT-UHFFFAOYSA-N
XLogP3.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride?
The IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride (CID 18932794) is 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride.
What is the SMILES notation for 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride?
The canonical SMILES for 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride is Cl.Nc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1.
What is the InChIKey of 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride?
The InChIKey is UFQUHTJSQABMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4.ClH/c17-11-2-1-10-5-6-21(15(10)7-11)16-13-8-12(18)3-4-14(13)19-9-20-16;/h1-4,7-9H,5-6,18H2;1H.
What are the key properties of 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride?
4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride has a molecular weight of 333.22 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride is sourced from PubChem (CID 18932794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).