4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C24H23N5O3 — CID 74763217

IUPAC4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCC(C)Oc1ccccc1-n1ccc2cc(N3CCOc4ncnc(N)c4C3=O)ccc21
InChIInChI=1S/C24H23N5O3/c1-15(2)32-20-6-4-3-5-19(20)29-10-9-16-13-17(7-8-18(16)29)28-11-12-31-23-21(24(28)30)22(25)26-14-27-23/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27)
InChIKeyBPFNCLUZQMUHGH-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.83
Rot. Bonds4

About 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 74763217) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID74763217
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCC(C)Oc1ccccc1-n1ccc2cc(N3CCOc4ncnc(N)c4C3=O)ccc21
InChIInChI=1S/C24H23N5O3/c1-15(2)32-20-6-4-3-5-19(20)29-10-9-16-13-17(7-8-18(16)29)28-11-12-31-23-21(24(28)30)22(25)26-14-27-23/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27)
InChIKeyBPFNCLUZQMUHGH-UHFFFAOYSA-N
XLogP3.83
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 74763217) is 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is CC(C)Oc1ccccc1-n1ccc2cc(N3CCOc4ncnc(N)c4C3=O)ccc21.
What is the InChIKey of 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is BPFNCLUZQMUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15(2)32-20-6-4-3-5-19(20)29-10-9-16-13-17(7-8-18(16)29)28-11-12-31-23-21(24(28)30)22(25)26-14-27-23/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27).
What are the key properties of 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 429.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-(2-propan-2-yloxyphenyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 74763217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).