4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

C25H24N6O3 — CID 66763824

IUPAC4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1
InChIInChI=1S/C25H24N6O3/c1-3-34-21-13-17(10-11-27-21)25(33)31-18-7-4-6-16(12-18)15(2)30-24-20-9-5-8-19(23(26)32)22(20)28-14-29-24/h4-15H,3H2,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
InChIKeyOZKLXNJWZUXQAC-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.95
Rot. Bonds8

About 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763824) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763824
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCCOc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1
InChIInChI=1S/C25H24N6O3/c1-3-34-21-13-17(10-11-27-21)25(33)31-18-7-4-6-16(12-18)15(2)30-24-20-9-5-8-19(23(26)32)22(20)28-14-29-24/h4-15H,3H2,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
InChIKeyOZKLXNJWZUXQAC-UHFFFAOYSA-N
XLogP3.95
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763824) is 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is CCOc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1.
What is the InChIKey of 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is OZKLXNJWZUXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-3-34-21-13-17(10-11-27-21)25(33)31-18-7-4-6-16(12-18)15(2)30-24-20-9-5-8-19(23(26)32)22(20)28-14-29-24/h4-15H,3H2,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30).
What are the key properties of 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(2-ethoxypyridine-4-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).