4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide

C25H24N6O4 — CID 66763065

IUPAC4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(OC)n1
InChIInChI=1S/C25H24N6O4/c1-14(29-23-18-9-5-8-17(22(26)32)21(18)27-13-28-23)15-6-4-7-16(12-15)30-24(33)19-10-11-20(34-2)31-25(19)35-3/h4-14H,1-3H3,(H2,26,32)(H,30,33)(H,27,28,29)/t14-/m1/s1
InChIKeyIXESJHHAWYJHDO-CQSZACIVSA-N
MW472.51 g/mol
LogP3.57
Rot. Bonds8

About 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide

4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide (PubChem CID 66763065) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
PubChem CID66763065
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(OC)n1
InChIInChI=1S/C25H24N6O4/c1-14(29-23-18-9-5-8-17(22(26)32)21(18)27-13-28-23)15-6-4-7-16(12-15)30-24(33)19-10-11-20(34-2)31-25(19)35-3/h4-14H,1-3H3,(H2,26,32)(H,30,33)(H,27,28,29)/t14-/m1/s1
InChIKeyIXESJHHAWYJHDO-CQSZACIVSA-N
XLogP3.57
TPSA141.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide (CID 66763065) is 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide is COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(OC)n1.
What is the InChIKey of 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is IXESJHHAWYJHDO-CQSZACIVSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-14(29-23-18-9-5-8-17(22(26)32)21(18)27-13-28-23)15-6-4-7-16(12-15)30-24(33)19-10-11-20(34-2)31-25(19)35-3/h4-14H,1-3H3,(H2,26,32)(H,30,33)(H,27,28,29)/t14-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-[(2,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).