8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine

C27H30N6O2 — CID 175011008

IUPAC8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine
SMILESCN(C)CCOc1cccc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1
InChIInChI=1S/C27H30N6O2/c1-33(2)13-15-34-21-8-3-6-19(16-21)22-9-4-7-20-17-30-27(32-25(20)22)31-23-10-5-11-29-26(23)24-18-28-12-14-35-24/h3-11,16-17,24,28H,12-15,18H2,1-2H3,(H,30,31,32)
InChIKeyWZLYTWKZQIKBHN-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.04
Rot. Bonds8

About 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine

8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine (PubChem CID 175011008) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound Name8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine
PubChem CID175011008
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine
SMILESCN(C)CCOc1cccc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1
InChIInChI=1S/C27H30N6O2/c1-33(2)13-15-34-21-8-3-6-19(16-21)22-9-4-7-20-17-30-27(32-25(20)22)31-23-10-5-11-29-26(23)24-18-28-12-14-35-24/h3-11,16-17,24,28H,12-15,18H2,1-2H3,(H,30,31,32)
InChIKeyWZLYTWKZQIKBHN-UHFFFAOYSA-N
XLogP4.04
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine (CID 175011008) is 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine is CN(C)CCOc1cccc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1.
What is the InChIKey of 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine?
The InChIKey is WZLYTWKZQIKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-33(2)13-15-34-21-8-3-6-19(16-21)22-9-4-7-20-17-30-27(32-25(20)22)31-23-10-5-11-29-26(23)24-18-28-12-14-35-24/h3-11,16-17,24,28H,12-15,18H2,1-2H3,(H,30,31,32).
What are the key properties of 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine?
8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine has a molecular weight of 470.58 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 175011008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).