1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride

C17H25Cl2N5O — CID 172894489

IUPAC1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
SMILESCN(C)CCn1c2c(ccc1=O)CC(Nc1ncccn1)CC2.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-21(2)10-11-22-15-6-5-14(12-13(15)4-7-16(22)23)20-17-18-8-3-9-19-17;;/h3-4,7-9,14H,5-6,10-12H2,1-2H3,(H,18,19,20);2*1H
InChIKeyPNIAHZZLZHSCSC-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride

1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride (PubChem CID 172894489) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
PubChem CID172894489
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC Name1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
SMILESCN(C)CCn1c2c(ccc1=O)CC(Nc1ncccn1)CC2.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-21(2)10-11-22-15-6-5-14(12-13(15)4-7-16(22)23)20-17-18-8-3-9-19-17;;/h3-4,7-9,14H,5-6,10-12H2,1-2H3,(H,18,19,20);2*1H
InChIKeyPNIAHZZLZHSCSC-UHFFFAOYSA-N
XLogP2.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride with MolForge

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Related Compounds

N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide
CID 97464045
(6S)-1-[2-(dimethylamino)ethyl]-6-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 97464038
(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide
CID 97389922
N-[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744560
6-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one;2,2,2-trifluoroacetic acid
CID 118742648
1-[2-(dimethylamino)ethyl]-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 134073501
1,1-dimethyl-3-[(6R)-1-[(6-methyl-2-pyridinyl)methyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]urea
CID 97466772
(6R)-6-(furan-3-ylmethylamino)-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 97464191
N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide
CID 97464155
1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131642052
1-(2-methoxyethyl)-6-[(5-methylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 131657036
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131683102

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride (CID 172894489) is 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride is CN(C)CCn1c2c(ccc1=O)CC(Nc1ncccn1)CC2.Cl.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride?
The InChIKey is PNIAHZZLZHSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-21(2)10-11-22-15-6-5-14(12-13(15)4-7-16(22)23)20-17-18-8-3-9-19-17;;/h3-4,7-9,14H,5-6,10-12H2,1-2H3,(H,18,19,20);2*1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride?
1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride is sourced from PubChem (CID 172894489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).