N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide

C25H20N6O2 — CID 88975129

IUPACN-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)c2c1
InChIInChI=1S/C25H20N6O2/c1-3-24(32)29-18-4-6-21-20(13-18)25(28-15-27-21)30-17-5-7-22(16(2)12-17)33-19-8-10-31-11-9-26-23(31)14-19/h3-15H,1H2,2H3,(H,29,32)(H,27,28,30)
InChIKeyNMFDBHAYDMGHBZ-UHFFFAOYSA-N
MW436.48 g/mol
LogP5.25
Rot. Bonds6

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

N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide (PubChem CID 88975129) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
PubChem CID88975129
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)c2c1
InChIInChI=1S/C25H20N6O2/c1-3-24(32)29-18-4-6-21-20(13-18)25(28-15-27-21)30-17-5-7-22(16(2)12-17)33-19-8-10-31-11-9-26-23(31)14-19/h3-15H,1H2,2H3,(H,29,32)(H,27,28,30)
InChIKeyNMFDBHAYDMGHBZ-UHFFFAOYSA-N
XLogP5.25
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]but-2-ynamide
CID 162431474
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-2-propylpentanamide
CID 71196517
1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one
CID 58140197
N-[4-[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enamide
CID 154981126
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
CID 58139984
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 58139959
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 58139948
1-[1-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]but-3-en-2-one
CID 158178792
N-[4-[3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)oxy]anilino]quinazolin-6-yl]but-2-ynamide
CID 162431941
3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
CID 58140079
N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139975

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide?
The IUPAC name of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide (CID 88975129) is N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide?
The canonical SMILES for N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide is C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)c2c1.
What is the InChIKey of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide?
The InChIKey is NMFDBHAYDMGHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-3-24(32)29-18-4-6-21-20(13-18)25(28-15-27-21)30-17-5-7-22(16(2)12-17)33-19-8-10-31-11-9-26-23(31)14-19/h3-15H,1H2,2H3,(H,29,32)(H,27,28,30).
What are the key properties of N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide?
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide has a molecular weight of 436.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]prop-2-enamide is sourced from PubChem (CID 88975129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).