(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

C22H20N2O — CID 8893313

IUPAC(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(24-21-11-5-8-16-6-1-3-9-19(16)21)15-14-18-13-12-17-7-2-4-10-20(17)23-18/h1-4,6-7,9-10,12-15,21H,5,8,11H2,(H,24,25)/b15-14+/t21-/m1/s1
InChIKeySDADXQVOWXWXNQ-IBUXMESJSA-N
MW328.42 g/mol
LogP4.44
Rot. Bonds3

About (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (PubChem CID 8893313) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
PubChem CID8893313
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(24-21-11-5-8-16-6-1-3-9-19(16)21)15-14-18-13-12-17-7-2-4-10-20(17)23-18/h1-4,6-7,9-10,12-15,21H,5,8,11H2,(H,24,25)/b15-14+/t21-/m1/s1
InChIKeySDADXQVOWXWXNQ-IBUXMESJSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919680
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
(E)-3-(1-benzyltriazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 46520257
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
(E)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 30400382
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 58223153

Frequently Asked Questions

What is the IUPAC name of (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The IUPAC name of (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (CID 8893313) is (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The InChIKey is SDADXQVOWXWXNQ-IBUXMESJSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(24-21-11-5-8-16-6-1-3-9-19(16)21)15-14-18-13-12-17-7-2-4-10-20(17)23-18/h1-4,6-7,9-10,12-15,21H,5,8,11H2,(H,24,25)/b15-14+/t21-/m1/s1.
What are the key properties of (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide has a molecular weight of 328.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 8893313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).