3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide

C24H30N6O2 — CID 70850254

IUPAC3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCc1ccc2nc(N)nc(C(=O)N3CC4C=CC=CC4C3)c2c1
InChIInChI=1S/C24H30N6O2/c1-29(2)12-11-26-21(31)10-8-16-7-9-20-19(13-16)22(28-24(25)27-20)23(32)30-14-17-5-3-4-6-18(17)15-30/h3-7,9,13,17-18H,8,10-12,14-15H2,1-2H3,(H,26,31)(H2,25,27,28)
InChIKeyAJWGBRONQBSJIR-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.64
Rot. Bonds7

About 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide

3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 70850254) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID70850254
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCc1ccc2nc(N)nc(C(=O)N3CC4C=CC=CC4C3)c2c1
InChIInChI=1S/C24H30N6O2/c1-29(2)12-11-26-21(31)10-8-16-7-9-20-19(13-16)22(28-24(25)27-20)23(32)30-14-17-5-3-4-6-18(17)15-30/h3-7,9,13,17-18H,8,10-12,14-15H2,1-2H3,(H,26,31)(H2,25,27,28)
InChIKeyAJWGBRONQBSJIR-UHFFFAOYSA-N
XLogP1.64
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide with MolForge

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Related Compounds

Bms-681
CID 68764898
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
CID 24812717
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide
CID 52938818
2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541719
(s)-1-((1s,2s,4r)-2-Isopropyl-4-(isopropyl(methyl)amino)cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 16064151
N-((1r,2s,5r)-5-(isopropyl(methyl)amino)-2-((s)-2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)acetamide
CID 23725177
3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2(1H)-one
CID 24879305
(S)-1-((1S,2R,4R)-2-ethyl-4-(isopropyl(methyl)amino)-cyclohexyl)-3-(6-(trifluoromethyl)quinazolin-4-ylamino)pyrrolidin-2-one
CID 68764925
4-methyl-1-oxo-N-pyrimidin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143519

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide (CID 70850254) is 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCc1ccc2nc(N)nc(C(=O)N3CC4C=CC=CC4C3)c2c1.
What is the InChIKey of 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is AJWGBRONQBSJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-29(2)12-11-26-21(31)10-8-16-7-9-20-19(13-16)22(28-24(25)27-20)23(32)30-14-17-5-3-4-6-18(17)15-30/h3-7,9,13,17-18H,8,10-12,14-15H2,1-2H3,(H,26,31)(H2,25,27,28).
What are the key properties of 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide?
3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 434.54 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3,3a,7a-tetrahydroisoindole-2-carbonyl)-2-aminoquinazolin-6-yl]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 70850254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).