3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one

C19H20N4O — CID 92561628

IUPAC3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
SMILESCc1cccc(CN2CCc3nc4ccccc4c(=O)n3CC2)n1
InChIInChI=1S/C19H20N4O/c1-14-5-4-6-15(20-14)13-22-10-9-18-21-17-8-3-2-7-16(17)19(24)23(18)12-11-22/h2-8H,9-13H2,1H3
InChIKeyYOZZLCQOIRXDNQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.16
Rot. Bonds2

About 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one

3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one (PubChem CID 92561628) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
PubChem CID92561628
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
SMILESCc1cccc(CN2CCc3nc4ccccc4c(=O)n3CC2)n1
InChIInChI=1S/C19H20N4O/c1-14-5-4-6-15(20-14)13-22-10-9-18-21-17-8-3-2-7-16(17)19(24)23(18)12-11-22/h2-8H,9-13H2,1H3
InChIKeyYOZZLCQOIRXDNQ-UHFFFAOYSA-N
XLogP2.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one (CID 92561628) is 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one is Cc1cccc(CN2CCc3nc4ccccc4c(=O)n3CC2)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one?
The InChIKey is YOZZLCQOIRXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-5-4-6-15(20-14)13-22-10-9-18-21-17-8-3-2-7-16(17)19(24)23(18)12-11-22/h2-8H,9-13H2,1H3.
What are the key properties of 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one?
3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one has a molecular weight of 320.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one is sourced from PubChem (CID 92561628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).