6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H19ClN6 — CID 24911419

IUPAC6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc2cc(CN3CCc4nc(-c5cncnc5)ncc4C3)c(Cl)nc2c1
InChIInChI=1S/C22H19ClN6/c1-14-2-3-15-7-16(21(23)27-20(15)6-14)11-29-5-4-19-18(12-29)10-26-22(28-19)17-8-24-13-25-9-17/h2-3,6-10,13H,4-5,11-12H2,1H3
InChIKeyBHBNTGFHTJJENY-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.00
Rot. Bonds3

About 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911419) has the molecular formula C22H19ClN6 and a molecular weight of 402.89 g/mol. Its IUPAC name is 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911419
Molecular FormulaC22H19ClN6
Molecular Weight402.89 g/mol
Exact Mass402.14
IUPAC Name6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc2cc(CN3CCc4nc(-c5cncnc5)ncc4C3)c(Cl)nc2c1
InChIInChI=1S/C22H19ClN6/c1-14-2-3-15-7-16(21(23)27-20(15)6-14)11-29-5-4-19-18(12-29)10-26-22(28-19)17-8-24-13-25-9-17/h2-3,6-10,13H,4-5,11-12H2,1H3
InChIKeyBHBNTGFHTJJENY-UHFFFAOYSA-N
XLogP4.00
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911410
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911855
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909880
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911863
2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891
2-chloro-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929125
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911852
6-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
3-chloro-4-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929188
6-methyl-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-4-one
CID 24909907
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911858
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928810

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911419) is 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2cc(CN3CCc4nc(-c5cncnc5)ncc4C3)c(Cl)nc2c1.
What is the InChIKey of 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BHBNTGFHTJJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6/c1-14-2-3-15-7-16(21(23)27-20(15)6-14)11-29-5-4-19-18(12-29)10-26-22(28-19)17-8-24-13-25-9-17/h2-3,6-10,13H,4-5,11-12H2,1H3.
What are the key properties of 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 402.89 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).