8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one

C16H21ClN4O2 — CID 170753730

IUPAC8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCCn1c(N2CCOCC2)nc2c(C(C)N)cc(Cl)cc2c1=O
InChIInChI=1S/C16H21ClN4O2/c1-3-21-15(22)13-9-11(17)8-12(10(2)18)14(13)19-16(21)20-4-6-23-7-5-20/h8-10H,3-7,18H2,1-2H3
InChIKeyBSCGELZBXJNNOY-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.93
Rot. Bonds3

About 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one

8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753730) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753730
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one
SMILESCCn1c(N2CCOCC2)nc2c(C(C)N)cc(Cl)cc2c1=O
InChIInChI=1S/C16H21ClN4O2/c1-3-21-15(22)13-9-11(17)8-12(10(2)18)14(13)19-16(21)20-4-6-23-7-5-20/h8-10H,3-7,18H2,1-2H3
InChIKeyBSCGELZBXJNNOY-UHFFFAOYSA-N
XLogP1.93
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753768
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
2-[1-(6-chloro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylamino]benzoic acid
CID 170753493
6-chloro-8-(1-hydroxyethyl)-2-morpholin-4-yl-3H-quinazolin-4-one
CID 170753898
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277
6-chloro-3-[[(1R)-1-[6-chloro-3-ethyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 170173742
8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
CID 170753566
3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile
CID 53201013
7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 5102128
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one (CID 170753730) is 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one is CCn1c(N2CCOCC2)nc2c(C(C)N)cc(Cl)cc2c1=O.
What is the InChIKey of 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is BSCGELZBXJNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-3-21-15(22)13-9-11(17)8-12(10(2)18)14(13)19-16(21)20-4-6-23-7-5-20/h8-10H,3-7,18H2,1-2H3.
What are the key properties of 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one?
8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 336.82 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).