4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide

C24H22N6O2 — CID 46868889

IUPAC4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t15-/m1/s1
InChIKeyJMHMGIHHTONCMK-OAHLLOKOSA-N
MW426.48 g/mol
LogP3.86
Rot. Bonds6

About 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide

4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide (PubChem CID 46868889) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
PubChem CID46868889
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
InChIInChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t15-/m1/s1
InChIKeyJMHMGIHHTONCMK-OAHLLOKOSA-N
XLogP3.86
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide (CID 46868889) is 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide is Cc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1.
What is the InChIKey of 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is JMHMGIHHTONCMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-9-10-17(12-26-14)24(32)30-18-6-3-5-16(11-18)15(2)29-23-20-8-4-7-19(22(25)31)21(20)27-13-28-23/h3-13,15H,1-2H3,(H2,25,31)(H,30,32)(H,27,28,29)/t15-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46868889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).