N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride

C29H30ClN5O — CID 68882984

IUPACN-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
SMILESCN1CCC(Oc2cccc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c23)CC1.Cl
InChIInChI=1S/C29H29N5O.ClH/c1-33-15-13-24(14-16-33)35-27-9-5-8-25-28(27)29(31-20-30-25)32-23-10-11-26-22(18-23)12-17-34(26)19-21-6-3-2-4-7-21;/h2-12,17-18,20,24H,13-16,19H2,1H3,(H,30,31,32);1H
InChIKeyIYHGXLPAEIVKEQ-UHFFFAOYSA-N
MW500.05 g/mol
LogP6.27
Rot. Bonds6

About N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride

N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride (PubChem CID 68882984) has the molecular formula C29H30ClN5O and a molecular weight of 500.05 g/mol. Its IUPAC name is N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
PubChem CID68882984
Molecular FormulaC29H30ClN5O
Molecular Weight500.05 g/mol
Exact Mass499.21
IUPAC NameN-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
SMILESCN1CCC(Oc2cccc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c23)CC1.Cl
InChIInChI=1S/C29H29N5O.ClH/c1-33-15-13-24(14-16-33)35-27-9-5-8-25-28(27)29(31-20-30-25)32-23-10-11-26-22(18-23)12-17-34(26)19-21-6-3-2-4-7-21;/h2-12,17-18,20,24H,13-16,19H2,1H3,(H,30,31,32);1H
InChIKeyIYHGXLPAEIVKEQ-UHFFFAOYSA-N
XLogP6.27
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.05
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride (CID 68882984) is N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride is CN1CCC(Oc2cccc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c23)CC1.Cl.
What is the InChIKey of N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride?
The InChIKey is IYHGXLPAEIVKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O.ClH/c1-33-15-13-24(14-16-33)35-27-9-5-8-25-28(27)29(31-20-30-25)32-23-10-11-26-22(18-23)12-17-34(26)19-21-6-3-2-4-7-21;/h2-12,17-18,20,24H,13-16,19H2,1H3,(H,30,31,32);1H.
What are the key properties of N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride?
N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride has a molecular weight of 500.05 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 68882984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).