N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide

C22H27N3O2 — CID 108953408

IUPACN-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-3-24(4-2)19-13-11-18(12-14-19)23-21(26)16-22(27)25-15-7-9-17-8-5-6-10-20(17)25/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3,(H,23,26)
InChIKeySSLMUKCNMNCWPT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.84
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide

N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide (PubChem CID 108953408) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
PubChem CID108953408
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-3-24(4-2)19-13-11-18(12-14-19)23-21(26)16-22(27)25-15-7-9-17-8-5-6-10-20(17)25/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3,(H,23,26)
InChIKeySSLMUKCNMNCWPT-UHFFFAOYSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967767
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
CID 108953391
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanamide
CID 5253773
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076337
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide (CID 108953408) is N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide is CCN(CC)c1ccc(NC(=O)CC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
The InChIKey is SSLMUKCNMNCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-24(4-2)19-13-11-18(12-14-19)23-21(26)16-22(27)25-15-7-9-17-8-5-6-10-20(17)25/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide has a molecular weight of 365.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108953408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).