2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one

C17H26N4O — CID 769702

IUPAC2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@H](C)NCCN(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H26N4O/c1-5-11-21-16(13(2)18-10-12-20(3)4)19-15-9-7-6-8-14(15)17(21)22/h6-9,13,18H,5,10-12H2,1-4H3/t13-/m0/s1
InChIKeyKHQOAKHRDZLBEX-ZDUSSCGKSA-N
MW302.42 g/mol
LogP2.02
Rot. Bonds7

About 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one

2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one (PubChem CID 769702) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
PubChem CID769702
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
SMILESCCCn1c([C@H](C)NCCN(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H26N4O/c1-5-11-21-16(13(2)18-10-12-20(3)4)19-15-9-7-6-8-14(15)17(21)22/h6-9,13,18H,5,10-12H2,1-4H3/t13-/m0/s1
InChIKeyKHQOAKHRDZLBEX-ZDUSSCGKSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 1055194
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one (CID 769702) is 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one is CCCn1c([C@H](C)NCCN(C)C)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one?
The InChIKey is KHQOAKHRDZLBEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-11-21-16(13(2)18-10-12-20(3)4)19-15-9-7-6-8-14(15)17(21)22/h6-9,13,18H,5,10-12H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one?
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one has a molecular weight of 302.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 769702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).