6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

C27H27N3O2 — CID 53262178

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CC3CC3)C(=O)CO4)cc2)CCC1
InChIInChI=1S/C27H27N3O2/c28-27(13-4-14-27)21-11-9-20(10-12-21)25-22(19-5-2-1-3-6-19)15-23-26(29-25)32-17-24(31)30(23)16-18-7-8-18/h1-3,5-6,9-12,15,18H,4,7-8,13-14,16-17,28H2
InChIKeyDDFASEHWDBONOY-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.89
Rot. Bonds5

About 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 53262178) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID53262178
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESNC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CC3CC3)C(=O)CO4)cc2)CCC1
InChIInChI=1S/C27H27N3O2/c28-27(13-4-14-27)21-11-9-20(10-12-21)25-22(19-5-2-1-3-6-19)15-23-26(29-25)32-17-24(31)30(23)16-18-7-8-18/h1-3,5-6,9-12,15,18H,4,7-8,13-14,16-17,28H2
InChIKeyDDFASEHWDBONOY-UHFFFAOYSA-N
XLogP4.89
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (CID 53262178) is 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CC3CC3)C(=O)CO4)cc2)CCC1.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is DDFASEHWDBONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c28-27(13-4-14-27)21-11-9-20(10-12-21)25-22(19-5-2-1-3-6-19)15-23-26(29-25)32-17-24(31)30(23)16-18-7-8-18/h1-3,5-6,9-12,15,18H,4,7-8,13-14,16-17,28H2.
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 425.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-1-(cyclopropylmethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 53262178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).