N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine

C24H20ClN5O3 — CID 58139975

IUPACN-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(Cl)c3)c2c1
InChIInChI=1S/C24H20ClN5O3/c1-31-10-11-32-17-3-4-21-19(13-17)24(28-15-27-21)29-16-2-5-22(20(25)12-16)33-18-6-8-30-9-7-26-23(30)14-18/h2-9,12-15H,10-11H2,1H3,(H,27,28,29)
InChIKeyDBBFTFJVHNYHEZ-UHFFFAOYSA-N
MW461.91 g/mol
LogP5.49
Rot. Bonds8

About N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine

N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 58139975) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID58139975
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC NameN-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(Cl)c3)c2c1
InChIInChI=1S/C24H20ClN5O3/c1-31-10-11-32-17-3-4-21-19(13-17)24(28-15-27-21)29-16-2-5-22(20(25)12-16)33-18-6-8-30-9-7-26-23(30)14-18/h2-9,12-15H,10-11H2,1H3,(H,27,28,29)
InChIKeyDBBFTFJVHNYHEZ-UHFFFAOYSA-N
XLogP5.49
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[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-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-3-methoxypropan-2-one
CID 58140197
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-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 58139959
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139893
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
CID 66937017
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine;ethane
CID 162431802

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine (CID 58139975) is N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine is COCCOc1ccc2ncnc(Nc3ccc(Oc4ccn5ccnc5c4)c(Cl)c3)c2c1.
What is the InChIKey of N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is DBBFTFJVHNYHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c1-31-10-11-32-17-3-4-21-19(13-17)24(28-15-27-21)29-16-2-5-22(20(25)12-16)33-18-6-8-30-9-7-26-23(30)14-18/h2-9,12-15H,10-11H2,1H3,(H,27,28,29).
What are the key properties of N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine?
N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 461.91 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 58139975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).