2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one

C14H19N3O — CID 769516

IUPAC2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
SMILESCCN[C@@H](CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C14H19N3O/c1-4-11(15-5-2)13-16-12-9-7-6-8-10(12)14(18)17(13)3/h6-9,11,15H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyRYVNEDDIGONVES-NSHDSACASA-N
MW245.33 g/mol
LogP1.99
Rot. Bonds4

About 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one

2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one (PubChem CID 769516) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
PubChem CID769516
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
SMILESCCN[C@@H](CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C14H19N3O/c1-4-11(15-5-2)13-16-12-9-7-6-8-10(12)14(18)17(13)3/h6-9,11,15H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyRYVNEDDIGONVES-NSHDSACASA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
CID 769523
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42711191
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one (CID 769516) is 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one is CCN[C@@H](CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one?
The InChIKey is RYVNEDDIGONVES-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11(15-5-2)13-16-12-9-7-6-8-10(12)14(18)17(13)3/h6-9,11,15H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one?
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 769516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).