N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide

C14H15N5 — CID 17036150

IUPACN'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\c1ncccn1)N1CCCc2ccccc21
InChIInChI=1S/C14H15N5/c15-13(18-14-16-8-4-9-17-14)19-10-3-6-11-5-1-2-7-12(11)19/h1-2,4-5,7-9H,3,6,10H2,(H2,15,16,17,18)
InChIKeyRRHLFJPGVCAHBC-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.88
Rot. Bonds1

About N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide

N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 17036150) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID17036150
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\c1ncccn1)N1CCCc2ccccc21
InChIInChI=1S/C14H15N5/c15-13(18-14-16-8-4-9-17-14)19-10-3-6-11-5-1-2-7-12(11)19/h1-2,4-5,7-9H,3,6,10H2,(H2,15,16,17,18)
InChIKeyRRHLFJPGVCAHBC-UHFFFAOYSA-N
XLogP1.88
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 18709592
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
CID 22149343
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 67553346
(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213919
N-amino-N'-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 116512824
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
bis(3,4-dihydro-2H-quinoline-1-carbodithioate);nickel(2+)
CID 6100591
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705

Frequently Asked Questions

What is the IUPAC name of N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 17036150) is N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide is N/C(=N\c1ncccn1)N1CCCc2ccccc21.
What is the InChIKey of N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is RRHLFJPGVCAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-13(18-14-16-8-4-9-17-14)19-10-3-6-11-5-1-2-7-12(11)19/h1-2,4-5,7-9H,3,6,10H2,(H2,15,16,17,18).
What are the key properties of N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide?
N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 253.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 17036150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).