1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone

C20H25N5O — CID 172904036

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone
SMILESCc1cc(N2CC(N(C)CC(=O)N3CCCc4ccccc43)C2)ncn1
InChIInChI=1S/C20H25N5O/c1-15-10-19(22-14-21-15)24-11-17(12-24)23(2)13-20(26)25-9-5-7-16-6-3-4-8-18(16)25/h3-4,6,8,10,14,17H,5,7,9,11-13H2,1-2H3
InChIKeySZUBFGCGVHSMNM-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.88
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone (PubChem CID 172904036) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone
PubChem CID172904036
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone
SMILESCc1cc(N2CC(N(C)CC(=O)N3CCCc4ccccc43)C2)ncn1
InChIInChI=1S/C20H25N5O/c1-15-10-19(22-14-21-15)24-11-17(12-24)23(2)13-20(26)25-9-5-7-16-6-3-4-8-18(16)25/h3-4,6,8,10,14,17H,5,7,9,11-13H2,1-2H3
InChIKeySZUBFGCGVHSMNM-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone
CID 171704576
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081516
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone (CID 172904036) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone is Cc1cc(N2CC(N(C)CC(=O)N3CCCc4ccccc43)C2)ncn1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone?
The InChIKey is SZUBFGCGVHSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-10-19(22-14-21-15)24-11-17(12-24)23(2)13-20(26)25-9-5-7-16-6-3-4-8-18(16)25/h3-4,6,8,10,14,17H,5,7,9,11-13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone has a molecular weight of 351.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone is sourced from PubChem (CID 172904036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).