2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine

C15H11Cl2N3O2 — CID 118237191

IUPAC2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine
SMILESCOCOc1cccc(-c2nc(Cl)nc3cc(Cl)cnc23)c1
InChIInChI=1S/C15H11Cl2N3O2/c1-21-8-22-11-4-2-3-9(5-11)13-14-12(19-15(17)20-13)6-10(16)7-18-14/h2-7H,8H2,1H3
InChIKeyKJABYEHKJGKYLT-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.98
Rot. Bonds4

About 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine

2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine (PubChem CID 118237191) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine
PubChem CID118237191
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine
SMILESCOCOc1cccc(-c2nc(Cl)nc3cc(Cl)cnc23)c1
InChIInChI=1S/C15H11Cl2N3O2/c1-21-8-22-11-4-2-3-9(5-11)13-14-12(19-15(17)20-13)6-10(16)7-18-14/h2-7H,8H2,1H3
InChIKeyKJABYEHKJGKYLT-UHFFFAOYSA-N
XLogP3.98
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
CID 44191138
4-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 53317835
4-[4-[4,6-Bis(4-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]-7-chloroquinoline
CID 164628255
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(3-methyl-3H-imidazol-4-yl)-quinoline
CID 44191221
8-Chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 54675645
6-Chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546890
2-[3-[3-(3-Methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
CID 58546982
6-Chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
CID 58547221
2-Chloro-3-[2-(3-methoxyphenyl)ethynyl]pyrido[2,3-b]pyrazine
CID 56682081
US9592235, Example 367
CID 90055030
8-Methoxy-4-(4-methoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 60147506

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine?
The IUPAC name of 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine (CID 118237191) is 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine is COCOc1cccc(-c2nc(Cl)nc3cc(Cl)cnc23)c1.
What is the InChIKey of 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine?
The InChIKey is KJABYEHKJGKYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-21-8-22-11-4-2-3-9(5-11)13-14-12(19-15(17)20-13)6-10(16)7-18-14/h2-7H,8H2,1H3.
What are the key properties of 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine?
2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine has a molecular weight of 336.18 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-4-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 118237191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).