7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

C24H24Cl2N6 — CID 69449527

IUPAC7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCN1Cc2cc(Nc3ncnc4cc(-c5ncccc5Cl)cnc34)ccc2C(C)(C)C1.Cl
InChIInChI=1S/C24H23ClN6.ClH/c1-24(2)13-31(3)12-16-9-17(6-7-18(16)24)30-23-22-20(28-14-29-23)10-15(11-27-22)21-19(25)5-4-8-26-21;/h4-11,14H,12-13H2,1-3H3,(H,28,29,30);1H
InChIKeyVRWAUCQDEQMABK-UHFFFAOYSA-N
MW467.40 g/mol
LogP5.63
Rot. Bonds3

About 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 69449527) has the molecular formula C24H24Cl2N6 and a molecular weight of 467.40 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID69449527
Molecular FormulaC24H24Cl2N6
Molecular Weight467.40 g/mol
Exact Mass466.14
IUPAC Name7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCN1Cc2cc(Nc3ncnc4cc(-c5ncccc5Cl)cnc34)ccc2C(C)(C)C1.Cl
InChIInChI=1S/C24H23ClN6.ClH/c1-24(2)13-31(3)12-16-9-17(6-7-18(16)24)30-23-22-20(28-14-29-23)10-15(11-27-22)21-19(25)5-4-8-26-21;/h4-11,14H,12-13H2,1-3H3,(H,28,29,30);1H
InChIKeyVRWAUCQDEQMABK-UHFFFAOYSA-N
XLogP5.63
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (CID 69449527) is 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is CN1Cc2cc(Nc3ncnc4cc(-c5ncccc5Cl)cnc34)ccc2C(C)(C)C1.Cl.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is VRWAUCQDEQMABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6.ClH/c1-24(2)13-31(3)12-16-9-17(6-7-18(16)24)30-23-22-20(28-14-29-23)10-15(11-27-22)21-19(25)5-4-8-26-21;/h4-11,14H,12-13H2,1-3H3,(H,28,29,30);1H.
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 467.40 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 69449527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).