7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C19H18ClN3O2 — CID 17456486

IUPAC7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C19H18ClN3O2/c1-25-16-5-6-17-13(9-16)3-2-8-22(17)12-15-10-19(24)23-11-14(20)4-7-18(23)21-15/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyVKASOVJEBJYUJU-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.31
Rot. Bonds3

About 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17456486) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17456486
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C19H18ClN3O2/c1-25-16-5-6-17-13(9-16)3-2-8-22(17)12-15-10-19(24)23-11-14(20)4-7-18(23)21-15/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyVKASOVJEBJYUJU-UHFFFAOYSA-N
XLogP3.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 17456486) is 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VKASOVJEBJYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-25-16-5-6-17-13(9-16)3-2-8-22(17)12-15-10-19(24)23-11-14(20)4-7-18(23)21-15/h4-7,9-11H,2-3,8,12H2,1H3.
What are the key properties of 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.83 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17456486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).