N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H26N4O — CID 51099822

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H26N4O/c1-13-17(14(2)23(4)21-13)11-19(24)20-12-15-7-8-18-16(10-15)6-5-9-22(18)3/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,20,24)
InChIKeyRNHAWSWOJJRZCH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.28
Rot. Bonds4

About N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51099822) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51099822
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H26N4O/c1-13-17(14(2)23(4)21-13)11-19(24)20-12-15-7-8-18-16(10-15)6-5-9-22(18)3/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,20,24)
InChIKeyRNHAWSWOJJRZCH-UHFFFAOYSA-N
XLogP2.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92608335
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
CID 71881904
N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 55749397
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42474431
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51099822) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is RNHAWSWOJJRZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-17(14(2)23(4)21-13)11-19(24)20-12-15-7-8-18-16(10-15)6-5-9-22(18)3/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,20,24).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51099822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).