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4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide

C28H27N5O2 — CID 3232632

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4ccc(C(=O)N(C)C)cc4)nc4ccccc34)c2c1
InChIInChI=1S/C28H27N5O2/c1-33(2)28(34)19-10-8-18(9-11-19)26-31-25-7-5-4-6-22(25)27(32-26)29-15-14-20-17-30-24-13-12-21(35-3)16-23(20)24/h4-13,16-17,30H,14-15H2,1-3H3,(H,29,31,32)
InChIKeyDMXRGUZEASKPKY-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.14
Rot. Bonds7

About 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide

4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide (PubChem CID 3232632) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
PubChem CID3232632
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4ccc(C(=O)N(C)C)cc4)nc4ccccc34)c2c1
InChIInChI=1S/C28H27N5O2/c1-33(2)28(34)19-10-8-18(9-11-19)26-31-25-7-5-4-6-22(25)27(32-26)29-15-14-20-17-30-24-13-12-21(35-3)16-23(20)24/h4-13,16-17,30H,14-15H2,1-3H3,(H,29,31,32)
InChIKeyDMXRGUZEASKPKY-UHFFFAOYSA-N
XLogP5.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide (CID 3232632) is 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide is COc1ccc2[nH]cc(CCNc3nc(-c4ccc(C(=O)N(C)C)cc4)nc4ccccc34)c2c1.
What is the InChIKey of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is DMXRGUZEASKPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-33(2)28(34)19-10-8-18(9-11-19)26-31-25-7-5-4-6-22(25)27(32-26)29-15-14-20-17-30-24-13-12-21(35-3)16-23(20)24/h4-13,16-17,30H,14-15H2,1-3H3,(H,29,31,32).
What are the key properties of 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide?
4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 465.56 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3232632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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