2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one

C20H21N3O — CID 135718756

IUPAC2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCc2ccccc21
InChIInChI=1S/C20H21N3O/c1-23(18-12-6-8-14-7-2-3-9-15(14)18)13-19-21-17-11-5-4-10-16(17)20(24)22-19/h2-5,7,9-11,18H,6,8,12-13H2,1H3,(H,21,22,24)
InChIKeyABGVXINTRYYIJC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.43
Rot. Bonds3

About 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one

2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135718756) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135718756
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCc2ccccc21
InChIInChI=1S/C20H21N3O/c1-23(18-12-6-8-14-7-2-3-9-15(14)18)13-19-21-17-11-5-4-10-16(17)20(24)22-19/h2-5,7,9-11,18H,6,8,12-13H2,1H3,(H,21,22,24)
InChIKeyABGVXINTRYYIJC-UHFFFAOYSA-N
XLogP3.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731449
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137296710
3-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 137252351
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
2-[[1-adamantylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135799564
10-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 135432025
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782885
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one (CID 135718756) is 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCc2ccccc21.
What is the InChIKey of 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is ABGVXINTRYYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(18-12-6-8-14-7-2-3-9-15(14)18)13-19-21-17-11-5-4-10-16(17)20(24)22-19/h2-5,7,9-11,18H,6,8,12-13H2,1H3,(H,21,22,24).
What are the key properties of 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135718756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).