1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

C21H21N3O2 — CID 161116178

IUPAC1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCOc1cccc2c(C(=O)CC3CCc4ccccc4C3)nc(N)nc12
InChIInChI=1S/C21H21N3O2/c1-26-18-8-4-7-16-19(23-21(22)24-20(16)18)17(25)12-13-9-10-14-5-2-3-6-15(14)11-13/h2-8,13H,9-12H2,1H3,(H2,22,23,24)
InChIKeyUKIOWTUBMIODDH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 161116178) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID161116178
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCOc1cccc2c(C(=O)CC3CCc4ccccc4C3)nc(N)nc12
InChIInChI=1S/C21H21N3O2/c1-26-18-8-4-7-16-19(23-21(22)24-20(16)18)17(25)12-13-9-10-14-5-2-3-6-15(14)11-13/h2-8,13H,9-12H2,1H3,(H2,22,23,24)
InChIKeyUKIOWTUBMIODDH-UHFFFAOYSA-N
XLogP3.60
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
CID 122485233
4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexane-1-carboxamide
CID 54080981
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
N-(2-methylpiperidin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 120599788

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 161116178) is 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is COc1cccc2c(C(=O)CC3CCc4ccccc4C3)nc(N)nc12.
What is the InChIKey of 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is UKIOWTUBMIODDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-8-4-7-16-19(23-21(22)24-20(16)18)17(25)12-13-9-10-14-5-2-3-6-15(14)11-13/h2-8,13H,9-12H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 347.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 161116178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).