1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one

C26H23N5O3 — CID 58140197

IUPAC1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)c2c1
InChIInChI=1S/C26H23N5O3/c1-17-11-19(4-6-24(17)34-21-7-9-31-10-8-27-25(31)14-21)30-26-22-13-18(12-20(32)15-33-2)3-5-23(22)28-16-29-26/h3-11,13-14,16H,12,15H2,1-2H3,(H,28,29,30)
InChIKeyCCPYSLLAXKKBLX-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.88
Rot. Bonds8

About 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one

1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one (PubChem CID 58140197) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one
PubChem CID58140197
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)c2c1
InChIInChI=1S/C26H23N5O3/c1-17-11-19(4-6-24(17)34-21-7-9-31-10-8-27-25(31)14-21)30-26-22-13-18(12-20(32)15-33-2)3-5-23(22)28-16-29-26/h3-11,13-14,16H,12,15H2,1-2H3,(H,28,29,30)
InChIKeyCCPYSLLAXKKBLX-UHFFFAOYSA-N
XLogP4.88
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 58139959
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-2-propylpentanamide
CID 71196517
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
CID 88975129
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]but-2-ynamide
CID 162431474
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
CID 58139984
4-methoxy-1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]butan-2-one
CID 58139894
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139975
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 58139948
3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
CID 58140079
(E)-1-[7-ethoxy-4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one
CID 158591061
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one (CID 58140197) is 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one is COCC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)c2c1.
What is the InChIKey of 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one?
The InChIKey is CCPYSLLAXKKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-17-11-19(4-6-24(17)34-21-7-9-31-10-8-27-25(31)14-21)30-26-22-13-18(12-20(32)15-33-2)3-5-23(22)28-16-29-26/h3-11,13-14,16H,12,15H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one?
1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one has a molecular weight of 453.50 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 58140197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).