6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one

C26H27N5O4 — CID 155536004

IUPAC6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one
SMILESCC(C)Oc1ccc(Nc2ncc3c(n2)CCN(C(=O)CCc2ccc4[nH]c(=O)oc4c2)C3)cc1
InChIInChI=1S/C26H27N5O4/c1-16(2)34-20-7-5-19(6-8-20)28-25-27-14-18-15-31(12-11-21(18)29-25)24(32)10-4-17-3-9-22-23(13-17)35-26(33)30-22/h3,5-9,13-14,16H,4,10-12,15H2,1-2H3,(H,30,33)(H,27,28,29)
InChIKeyGFOXRASESXUIGY-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.96
Rot. Bonds7

About 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one

6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one (PubChem CID 155536004) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one
PubChem CID155536004
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one
SMILESCC(C)Oc1ccc(Nc2ncc3c(n2)CCN(C(=O)CCc2ccc4[nH]c(=O)oc4c2)C3)cc1
InChIInChI=1S/C26H27N5O4/c1-16(2)34-20-7-5-19(6-8-20)28-25-27-14-18-15-31(12-11-21(18)29-25)24(32)10-4-17-3-9-22-23(13-17)35-26(33)30-22/h3,5-9,13-14,16H,4,10-12,15H2,1-2H3,(H,30,33)(H,27,28,29)
InChIKeyGFOXRASESXUIGY-UHFFFAOYSA-N
XLogP3.96
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one (CID 155536004) is 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one is CC(C)Oc1ccc(Nc2ncc3c(n2)CCN(C(=O)CCc2ccc4[nH]c(=O)oc4c2)C3)cc1.
What is the InChIKey of 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GFOXRASESXUIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16(2)34-20-7-5-19(6-8-20)28-25-27-14-18-15-31(12-11-21(18)29-25)24(32)10-4-17-3-9-22-23(13-17)35-26(33)30-22/h3,5-9,13-14,16H,4,10-12,15H2,1-2H3,(H,30,33)(H,27,28,29).
What are the key properties of 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one?
6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 473.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-3-[2-(4-propan-2-yloxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 155536004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).