4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine

C30H26N6O3S — CID 169320788

IUPAC4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine
SMILESCOc1nc(Oc2ccccc2)nc2c(-c3nccs3)cc(-c3cccc4c3cnn4C3CCCCO3)c(N)c12
InChIInChI=1S/C30H26N6O3S/c1-37-28-25-26(31)20(19-10-7-11-23-22(19)17-33-36(23)24-12-5-6-14-38-24)16-21(29-32-13-15-40-29)27(25)34-30(35-28)39-18-8-3-2-4-9-18/h2-4,7-11,13,15-17,24H,5-6,12,14,31H2,1H3
InChIKeyPNBWNTATMJREPA-UHFFFAOYSA-N
MW550.64 g/mol
LogP6.85
Rot. Bonds6

About 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine

4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine (PubChem CID 169320788) has the molecular formula C30H26N6O3S and a molecular weight of 550.64 g/mol. Its IUPAC name is 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine.

Molecular Properties

Compound Name4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine
PubChem CID169320788
Molecular FormulaC30H26N6O3S
Molecular Weight550.64 g/mol
Exact Mass550.18
IUPAC Name4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine
SMILESCOc1nc(Oc2ccccc2)nc2c(-c3nccs3)cc(-c3cccc4c3cnn4C3CCCCO3)c(N)c12
InChIInChI=1S/C30H26N6O3S/c1-37-28-25-26(31)20(19-10-7-11-23-22(19)17-33-36(23)24-12-5-6-14-38-24)16-21(29-32-13-15-40-29)27(25)34-30(35-28)39-18-8-3-2-4-9-18/h2-4,7-11,13,15-17,24H,5-6,12,14,31H2,1H3
InChIKeyPNBWNTATMJREPA-UHFFFAOYSA-N
XLogP6.85
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.64
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

5-amino-8-(6-fluoro-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]-6-[1-(oxan-2-yl)indazol-4-yl]-2-pyridin-4-ylquinazolin-4-one
CID 169320891
5-chloro-N-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134456291
2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine
CID 153418551
methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate
CID 139345951
(6-methylimidazo[1,2-a]pyridin-2-yl)-[2-[1-(oxan-2-yl)indazol-4-yl]-1,3-thiazol-5-yl]methanol
CID 155167746
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[4-morpholin-4-yl-6-[1-(oxan-2-yl)indazol-4-yl]-1,3,5-triazin-2-yl]methyl methanesulfonate
CID 86702016
1-[(2S)-oxan-2-yl]indazole
CID 124562379
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
CID 170346549
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine?
The IUPAC name of 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine (CID 169320788) is 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine.
What is the SMILES notation for 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine?
The canonical SMILES for 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine is COc1nc(Oc2ccccc2)nc2c(-c3nccs3)cc(-c3cccc4c3cnn4C3CCCCO3)c(N)c12.
What is the InChIKey of 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine?
The InChIKey is PNBWNTATMJREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O3S/c1-37-28-25-26(31)20(19-10-7-11-23-22(19)17-33-36(23)24-12-5-6-14-38-24)16-21(29-32-13-15-40-29)27(25)34-30(35-28)39-18-8-3-2-4-9-18/h2-4,7-11,13,15-17,24H,5-6,12,14,31H2,1H3.
What are the key properties of 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine?
4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine has a molecular weight of 550.64 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine is sourced from PubChem (CID 169320788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).