(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H19N3O — CID 43642130

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCc3ccccc32)n(C2CC2)c1
InChIInChI=1S/C17H19N3O/c18-13-10-16(20(11-13)14-7-8-14)17(21)19-9-3-5-12-4-1-2-6-15(12)19/h1-2,4,6,10-11,14H,3,5,7-9,18H2
InChIKeyALDGCXQXPYCXII-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds2

About (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 43642130) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID43642130
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCc3ccccc32)n(C2CC2)c1
InChIInChI=1S/C17H19N3O/c18-13-10-16(20(11-13)14-7-8-14)17(21)19-9-3-5-12-4-1-2-6-15(12)19/h1-2,4,6,10-11,14H,3,5,7-9,18H2
InChIKeyALDGCXQXPYCXII-UHFFFAOYSA-N
XLogP3.00
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 43642130) is (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Nc1cc(C(=O)N2CCCc3ccccc32)n(C2CC2)c1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ALDGCXQXPYCXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-13-10-16(20(11-13)14-7-8-14)17(21)19-9-3-5-12-4-1-2-6-15(12)19/h1-2,4,6,10-11,14H,3,5,7-9,18H2.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 43642130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).