1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C18H24N4O2 — CID 70977554

IUPAC1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOCCn1cc(-c2ccc3c(c2)[C@H](N)C[C@H](C)N3C(C)=O)cn1
InChIInChI=1S/C18H24N4O2/c1-12-8-17(19)16-9-14(4-5-18(16)22(12)13(2)23)15-10-20-21(11-15)6-7-24-3/h4-5,9-12,17H,6-8,19H2,1-3H3/t12-,17+/m0/s1
InChIKeyVSZWZFDBHCIDQR-YVEFUNNKSA-N
MW328.42 g/mol
LogP2.34
Rot. Bonds4

About 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 70977554) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID70977554
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOCCn1cc(-c2ccc3c(c2)[C@H](N)C[C@H](C)N3C(C)=O)cn1
InChIInChI=1S/C18H24N4O2/c1-12-8-17(19)16-9-14(4-5-18(16)22(12)13(2)23)15-10-20-21(11-15)6-7-24-3/h4-5,9-12,17H,6-8,19H2,1-3H3/t12-,17+/m0/s1
InChIKeyVSZWZFDBHCIDQR-YVEFUNNKSA-N
XLogP2.34
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078883
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
2-(1-methylpyrazol-3-yl)-9-morpholin-4-yl-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335233
2-(1-methylpyrazol-4-yl)-9-morpholin-4-yl-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89980456
US11370784, Example 5
CID 134418892
N-(4-isopropylphenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 45176595
4-[[1-(1-methylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682475
6-methyl-1-{[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]acetyl}-1,2,3,4-tetrahydroquinoline
CID 50949802
US10617680, Example 43
CID 135355242
US11168070, Example 82
CID 138655057
Benzothiazepine analog 10
CID 118079253

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 70977554) is 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is COCCn1cc(-c2ccc3c(c2)[C@H](N)C[C@H](C)N3C(C)=O)cn1.
What is the InChIKey of 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is VSZWZFDBHCIDQR-YVEFUNNKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-8-17(19)16-9-14(4-5-18(16)22(12)13(2)23)15-10-20-21(11-15)6-7-24-3/h4-5,9-12,17H,6-8,19H2,1-3H3/t12-,17+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-amino-6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 70977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).