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

C22H18ClN5 — CID 24909880

IUPAC6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1nc2ccccc2cc1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C22H18ClN5/c23-21-17(11-16-3-1-2-4-19(16)26-21)13-28-10-7-20-18(14-28)12-25-22(27-20)15-5-8-24-9-6-15/h1-6,8-9,11-12H,7,10,13-14H2
InChIKeyFXAXRIXLECSZCB-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.30
Rot. Bonds3

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

6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909880) has the molecular formula C22H18ClN5 and a molecular weight of 387.87 g/mol. Its IUPAC name is 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909880
Molecular FormulaC22H18ClN5
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1nc2ccccc2cc1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C22H18ClN5/c23-21-17(11-16-3-1-2-4-19(16)26-21)13-28-10-7-20-18(14-28)12-25-22(27-20)15-5-8-24-9-6-15/h1-6,8-9,11-12H,7,10,13-14H2
InChIKeyFXAXRIXLECSZCB-UHFFFAOYSA-N
XLogP4.30
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911410
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
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-chloro-7-methylquinolin-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911419
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911863
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912306
6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929203
4-[6-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24910224
6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909085

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909880) is 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1nc2ccccc2cc1CN1CCc2nc(-c3ccncc3)ncc2C1.
What is the InChIKey of 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FXAXRIXLECSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5/c23-21-17(11-16-3-1-2-4-19(16)26-21)13-28-10-7-20-18(14-28)12-25-22(27-20)15-5-8-24-9-6-15/h1-6,8-9,11-12H,7,10,13-14H2.
What are the key properties of 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 387.87 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).