8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

C23H21ClN6O — CID 163272414

IUPAC8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3cccc(-c4cccc(Cl)n4)c3n1)CN(C)CC2
InChIInChI=1S/C23H21ClN6O/c1-30-10-9-17-15(13-30)11-19(22(27-17)31-2)28-23-25-12-14-5-3-6-16(21(14)29-23)18-7-4-8-20(24)26-18/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28,29)
InChIKeyANZDABQOMNMOSP-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.48
Rot. Bonds4

About 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine

8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (PubChem CID 163272414) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
PubChem CID163272414
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC Name8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3cccc(-c4cccc(Cl)n4)c3n1)CN(C)CC2
InChIInChI=1S/C23H21ClN6O/c1-30-10-9-17-15(13-30)11-19(22(27-17)31-2)28-23-25-12-14-5-3-6-16(21(14)29-23)18-7-4-8-20(24)26-18/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28,29)
InChIKeyANZDABQOMNMOSP-UHFFFAOYSA-N
XLogP4.48
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The IUPAC name of 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine (CID 163272414) is 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The canonical SMILES for 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is COc1nc2c(cc1Nc1ncc3cccc(-c4cccc(Cl)n4)c3n1)CN(C)CC2.
What is the InChIKey of 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
The InChIKey is ANZDABQOMNMOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-30-10-9-17-15(13-30)11-19(22(27-17)31-2)28-23-25-12-14-5-3-6-16(21(14)29-23)18-7-4-8-20(24)26-18/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28,29).
What are the key properties of 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine?
8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine has a molecular weight of 432.92 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2-pyridinyl)-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)quinazolin-2-amine is sourced from PubChem (CID 163272414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).