(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone

C16H18ClN3O — CID 82745168

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone
SMILESCCn1cc(Cl)cc1C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C16H18ClN3O/c1-2-19-10-11(17)9-15(19)16(21)20-8-4-5-12-13(18)6-3-7-14(12)20/h3,6-7,9-10H,2,4-5,8,18H2,1H3
InChIKeyAKKVFVMUKKPUSY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.34
Rot. Bonds2

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone (PubChem CID 82745168) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone
PubChem CID82745168
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone
SMILESCCn1cc(Cl)cc1C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C16H18ClN3O/c1-2-19-10-11(17)9-15(19)16(21)20-8-4-5-12-13(18)6-3-7-14(12)20/h3,6-7,9-10H,2,4-5,8,18H2,1H3
InChIKeyAKKVFVMUKKPUSY-UHFFFAOYSA-N
XLogP3.34
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 82706143
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121179
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
CID 82705400
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052
(4-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-chlorophenyl)methanone
CID 107937533

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone (CID 82745168) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone is CCn1cc(Cl)cc1C(=O)N1CCCc2c(N)cccc21.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone?
The InChIKey is AKKVFVMUKKPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-19-10-11(17)9-15(19)16(21)20-8-4-5-12-13(18)6-3-7-14(12)20/h3,6-7,9-10H,2,4-5,8,18H2,1H3.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone has a molecular weight of 303.79 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone is sourced from PubChem (CID 82745168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).