2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

C19H16N4O3 — CID 16730105

IUPAC2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
SMILESCOc1ccc(Nc2ncc3c(n2)-c2ccccc2NC(=O)C3)cc1O
InChIInChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
InChIKeySRLAWDYDLHMAMZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.10
Rot. Bonds3

About 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one (PubChem CID 16730105) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
PubChem CID16730105
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
SMILESCOc1ccc(Nc2ncc3c(n2)-c2ccccc2NC(=O)C3)cc1O
InChIInChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
InChIKeySRLAWDYDLHMAMZ-UHFFFAOYSA-N
XLogP3.10
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The IUPAC name of 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one (CID 16730105) is 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The canonical SMILES for 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one is COc1ccc(Nc2ncc3c(n2)-c2ccccc2NC(=O)C3)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The InChIKey is SRLAWDYDLHMAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-26-16-7-6-12(9-15(16)24)21-19-20-10-11-8-17(25)22-14-5-3-2-4-13(14)18(11)23-19/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one has a molecular weight of 348.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one is sourced from PubChem (CID 16730105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).