2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one

C16H20N4O2 — CID 137269546

IUPAC2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
SMILESCCCN1CCCN(c2nc3ccccc3c(=O)[nH]2)CC1=O
InChIInChI=1S/C16H20N4O2/c1-2-8-19-9-5-10-20(11-14(19)21)16-17-13-7-4-3-6-12(13)15(22)18-16/h3-4,6-7H,2,5,8-11H2,1H3,(H,17,18,22)
InChIKeyDEKQCAZSLXCVOJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one

2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one (PubChem CID 137269546) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
PubChem CID137269546
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
SMILESCCCN1CCCN(c2nc3ccccc3c(=O)[nH]2)CC1=O
InChIInChI=1S/C16H20N4O2/c1-2-8-19-9-5-10-20(11-14(19)21)16-17-13-7-4-3-6-12(13)15(22)18-16/h3-4,6-7H,2,5,8-11H2,1H3,(H,17,18,22)
InChIKeyDEKQCAZSLXCVOJ-UHFFFAOYSA-N
XLogP1.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one (CID 137269546) is 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one is CCCN1CCCN(c2nc3ccccc3c(=O)[nH]2)CC1=O.
What is the InChIKey of 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one?
The InChIKey is DEKQCAZSLXCVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-8-19-9-5-10-20(11-14(19)21)16-17-13-7-4-3-6-12(13)15(22)18-16/h3-4,6-7H,2,5,8-11H2,1H3,(H,17,18,22).
What are the key properties of 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one?
2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one has a molecular weight of 300.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137269546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).