2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C19H20N6O — CID 136544645

IUPAC2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CNc1ncnc2c1ncn2C1CC1)N1CCCc2ccccc21
InChIInChI=1S/C19H20N6O/c26-16(24-9-3-5-13-4-1-2-6-15(13)24)10-20-18-17-19(22-11-21-18)25(12-23-17)14-7-8-14/h1-2,4,6,11-12,14H,3,5,7-10H2,(H,20,21,22)
InChIKeyVFRFZNGKNWSVBB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.55
Rot. Bonds4

About 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 136544645) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID136544645
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CNc1ncnc2c1ncn2C1CC1)N1CCCc2ccccc21
InChIInChI=1S/C19H20N6O/c26-16(24-9-3-5-13-4-1-2-6-15(13)24)10-20-18-17-19(22-11-21-18)25(12-23-17)14-7-8-14/h1-2,4,6,11-12,14H,3,5,7-10H2,(H,20,21,22)
InChIKeyVFRFZNGKNWSVBB-UHFFFAOYSA-N
XLogP2.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081516
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone
CID 167873901
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylethanone
CID 18554461
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(1,1-dioxothiolan-3-yl)pyrazolo[4,5-d]pyrimidin-5-one
CID 66557535

Frequently Asked Questions

What is the IUPAC name of 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 136544645) is 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CNc1ncnc2c1ncn2C1CC1)N1CCCc2ccccc21.
What is the InChIKey of 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is VFRFZNGKNWSVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-16(24-9-3-5-13-4-1-2-6-15(13)24)10-20-18-17-19(22-11-21-18)25(12-23-17)14-7-8-14/h1-2,4,6,11-12,14H,3,5,7-10H2,(H,20,21,22).
What are the key properties of 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 348.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 136544645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).