1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one

C21H18N4O2 — CID 159292409

IUPAC1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
SMILESCOc1cccc2c(C(=O)CCc3cccc4cccnc34)nc(N)nc12
InChIInChI=1S/C21H18N4O2/c1-27-17-9-3-8-15-19(24-21(22)25-20(15)17)16(26)11-10-14-6-2-5-13-7-4-12-23-18(13)14/h2-9,12H,10-11H2,1H3,(H2,22,24,25)
InChIKeyLAHGACWEZHLYNR-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one

1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one (PubChem CID 159292409) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
PubChem CID159292409
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
SMILESCOc1cccc2c(C(=O)CCc3cccc4cccnc34)nc(N)nc12
InChIInChI=1S/C21H18N4O2/c1-27-17-9-3-8-15-19(24-21(22)25-20(15)17)16(26)11-10-14-6-2-5-13-7-4-12-23-18(13)14/h2-9,12H,10-11H2,1H3,(H2,22,24,25)
InChIKeyLAHGACWEZHLYNR-UHFFFAOYSA-N
XLogP3.58
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 161116178
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
6-quinolin-8-ylhexan-3-one
CID 132571149
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one?
The IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one (CID 159292409) is 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one.
What is the SMILES notation for 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one?
The canonical SMILES for 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one is COc1cccc2c(C(=O)CCc3cccc4cccnc34)nc(N)nc12.
What is the InChIKey of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one?
The InChIKey is LAHGACWEZHLYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-17-9-3-8-15-19(24-21(22)25-20(15)17)16(26)11-10-14-6-2-5-13-7-4-12-23-18(13)14/h2-9,12H,10-11H2,1H3,(H2,22,24,25).
What are the key properties of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one?
1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one has a molecular weight of 358.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one is sourced from PubChem (CID 159292409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).