N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride

C24H19ClN4O2 — CID 67719057

IUPACN-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
SMILESCl.c1ccc(Cn2ccc3cc(Nc4ncnc5cc6c(cc45)OCO6)ccc32)cc1
InChIInChI=1S/C24H18N4O2.ClH/c1-2-4-16(5-3-1)13-28-9-8-17-10-18(6-7-21(17)28)27-24-19-11-22-23(30-15-29-22)12-20(19)25-14-26-24;/h1-12,14H,13,15H2,(H,25,26,27);1H
InChIKeyALDRUNMWFFQDQY-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.53
Rot. Bonds4

About N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride

N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride (PubChem CID 67719057) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
PubChem CID67719057
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
SMILESCl.c1ccc(Cn2ccc3cc(Nc4ncnc5cc6c(cc45)OCO6)ccc32)cc1
InChIInChI=1S/C24H18N4O2.ClH/c1-2-4-16(5-3-1)13-28-9-8-17-10-18(6-7-21(17)28)27-24-19-11-22-23(30-15-29-22)12-20(19)25-14-26-24;/h1-12,14H,13,15H2,(H,25,26,27);1H
InChIKeyALDRUNMWFFQDQY-UHFFFAOYSA-N
XLogP5.53
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride?
The IUPAC name of N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride (CID 67719057) is N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride.
What is the SMILES notation for N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride?
The canonical SMILES for N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride is Cl.c1ccc(Cn2ccc3cc(Nc4ncnc5cc6c(cc45)OCO6)ccc32)cc1.
What is the InChIKey of N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride?
The InChIKey is ALDRUNMWFFQDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2.ClH/c1-2-4-16(5-3-1)13-28-9-8-17-10-18(6-7-21(17)28)27-24-19-11-22-23(30-15-29-22)12-20(19)25-14-26-24;/h1-12,14H,13,15H2,(H,25,26,27);1H.
What are the key properties of N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride?
N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride has a molecular weight of 430.90 g/mol, XLogP of 5.53, 4 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)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride is sourced from PubChem (CID 67719057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).