methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate

C25H27N5O4 — CID 169231985

IUPACmethane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate
SMILESC.COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1OC(=O)N1CCOCC1
InChIInChI=1S/C24H23N5O4.CH4/c1-28-14-18(22(27-28)16-6-4-3-5-7-16)23-17-12-21(20(31-2)13-19(17)25-15-26-23)33-24(30)29-8-10-32-11-9-29;/h3-7,12-15H,8-11H2,1-2H3;1H4
InChIKeyDMPRBFPHAUFLQH-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.17
Rot. Bonds4

About methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate

methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate (PubChem CID 169231985) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Namemethane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate
PubChem CID169231985
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Namemethane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate
SMILESC.COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1OC(=O)N1CCOCC1
InChIInChI=1S/C24H23N5O4.CH4/c1-28-14-18(22(27-28)16-6-4-3-5-7-16)23-17-12-21(20(31-2)13-19(17)25-15-26-23)33-24(30)29-8-10-32-11-9-29;/h3-7,12-15H,8-11H2,1-2H3;1H4
InChIKeyDMPRBFPHAUFLQH-UHFFFAOYSA-N
XLogP4.17
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] (2S)-2,4-dimethylpiperazine-1-carboxylate;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] 2,4-dimethylpiperazine-1-carboxylate
CID 175943480
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231902
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672
(2R,3S)-4-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,3-dimethylmorpholine
CID 169231594
[4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-methoxyquinazolin-6-yl] (2S)-2,4-dimethylpiperazine-1-carboxylate;ethane;[7-methoxy-4-[1-(oxetan-3-yl)-3-phenylpyrazol-4-yl]quinazolin-6-yl] (2S)-2,4-dimethylpiperazine-1-carboxylate
CID 169231460
N-[4-(1-methyl-3-phenylpyrazol-4-yl)-7-(oxetan-3-ylmethoxy)quinazolin-6-yl]propanamide
CID 169231096
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]piperidin-3-ol
CID 169231046
tert-butyl 4-[[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]carbamoyl]-2-methylpiperazine-1-carboxylate
CID 169231303
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-N,2-dimethylpiperazine-1-carboxamide
CID 169231731
(3S,4S)-3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170162449

Frequently Asked Questions

What is the IUPAC name of methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate?
The IUPAC name of methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate (CID 169231985) is methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate.
What is the SMILES notation for methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate?
The canonical SMILES for methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate is C.COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1OC(=O)N1CCOCC1.
What is the InChIKey of methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate?
The InChIKey is DMPRBFPHAUFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4.CH4/c1-28-14-18(22(27-28)16-6-4-3-5-7-16)23-17-12-21(20(31-2)13-19(17)25-15-26-23)33-24(30)29-8-10-32-11-9-29;/h3-7,12-15H,8-11H2,1-2H3;1H4.
What are the key properties of methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate?
methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate has a molecular weight of 461.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl] morpholine-4-carboxylate is sourced from PubChem (CID 169231985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).