3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone

C20H19N5O — CID 109349894

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCc2cccnc2)ncn1)N1CCCc2ccccc21
InChIInChI=1S/C20H19N5O/c26-20(25-10-4-7-16-6-1-2-8-18(16)25)17-11-19(24-14-23-17)22-13-15-5-3-9-21-12-15/h1-3,5-6,8-9,11-12,14H,4,7,10,13H2,(H,22,23,24)
InChIKeyRFESXFLIHMAZQS-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.08
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109349894) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109349894
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCc2cccnc2)ncn1)N1CCCc2ccccc21
InChIInChI=1S/C20H19N5O/c26-20(25-10-4-7-16-6-1-2-8-18(16)25)17-11-19(24-14-23-17)22-13-15-5-3-9-21-12-15/h1-3,5-6,8-9,11-12,14H,4,7,10,13H2,(H,22,23,24)
InChIKeyRFESXFLIHMAZQS-UHFFFAOYSA-N
XLogP3.08
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342821
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006
3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]methanone
CID 2979752
3,4-dihydro-2H-quinolin-1-yl-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307503
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109170004
6-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109098252
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
CID 109351741
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283260

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone (CID 109349894) is 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone is O=C(c1cc(NCc2cccnc2)ncn1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is RFESXFLIHMAZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(25-10-4-7-16-6-1-2-8-18(16)25)17-11-19(24-14-23-17)22-13-15-5-3-9-21-12-15/h1-3,5-6,8-9,11-12,14H,4,7,10,13H2,(H,22,23,24).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 345.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109349894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).