2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine

C17H15ClN4O — CID 134611708

IUPAC2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine
SMILESCOc1ccc2c(c1)CCCN2c1nc(Cl)nc2ncccc12
InChIInChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3
InChIKeyHAZYKJFAXKILAD-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.77
Rot. Bonds2

About 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine

2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine (PubChem CID 134611708) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine
PubChem CID134611708
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine
SMILESCOc1ccc2c(c1)CCCN2c1nc(Cl)nc2ncccc12
InChIInChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3
InChIKeyHAZYKJFAXKILAD-UHFFFAOYSA-N
XLogP3.77
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine (CID 134611708) is 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine is COc1ccc2c(c1)CCCN2c1nc(Cl)nc2ncccc12.
What is the InChIKey of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine?
The InChIKey is HAZYKJFAXKILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3.
What are the key properties of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine?
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine has a molecular weight of 326.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 134611708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).