5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride

About 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride

5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137127795) has the molecular formula C22H25Cl2N5O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name	5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID	137127795
Molecular Formula	C22H25Cl2N5O2
Molecular Weight	462.38 g/mol
Exact Mass	461.14
IUPAC Name	5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride
SMILES	Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCCc2c(N)cccc21.Cl.Cl
InChI	InChI=1S/C22H23N5O2.2ClH/c1-14-16(22(29)26-21(25-14)15-5-3-11-24-13-15)9-10-20(28)27-12-4-6-17-18(23)7-2-8-19(17)27;;/h2-3,5,7-8,11,13H,4,6,9-10,12,23H2,1H3,(H,25,26,29);2*1H
InChIKey	MZFDAMQVXKIDOU-UHFFFAOYSA-N
XLogP	3.48
TPSA	104.97 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.38
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

The IUPAC name of 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride (CID 137127795) is 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride.

What is the SMILES notation for 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

The canonical SMILES for 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride is Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CCCc2c(N)cccc21.Cl.Cl.

What is the InChIKey of 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

The InChIKey is MZFDAMQVXKIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.2ClH/c1-14-16(22(29)26-21(25-14)15-5-3-11-24-13-15)9-10-20(28)27-12-4-6-17-18(23)7-2-8-19(17)27;;/h2-3,5,7-8,11,13H,4,6,9-10,12,23H2,1H3,(H,25,26,29);2*1H.

What are the key properties of 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride?

5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 462.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137127795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).