2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C27H24N6O2 — CID 53318622

IUPAC2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(c1nc(NCc3ccccn3)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C27H24N6O2/c1-34-22-6-8-25-18(11-22)10-19(16-35-25)26-32-24-7-5-17(20-13-30-31-14-20)12-23(24)27(33-26)29-15-21-4-2-3-9-28-21/h2-9,11-14,19H,10,15-16H2,1H3,(H,30,31)(H,29,32,33)
InChIKeyRCFJDYWYYZQUTM-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.75
Rot. Bonds6

About 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine

2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 53318622) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID53318622
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(c1nc(NCc3ccccn3)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C27H24N6O2/c1-34-22-6-8-25-18(11-22)10-19(16-35-25)26-32-24-7-5-17(20-13-30-31-14-20)12-23(24)27(33-26)29-15-21-4-2-3-9-28-21/h2-9,11-14,19H,10,15-16H2,1H3,(H,30,31)(H,29,32,33)
InChIKeyRCFJDYWYYZQUTM-UHFFFAOYSA-N
XLogP4.75
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 53318622) is 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine is COc1ccc2c(c1)CC(c1nc(NCc3ccccn3)c3cc(-c4cn[nH]c4)ccc3n1)CO2.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is RCFJDYWYYZQUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-34-22-6-8-25-18(11-22)10-19(16-35-25)26-32-24-7-5-17(20-13-30-31-14-20)12-23(24)27(33-26)29-15-21-4-2-3-9-28-21/h2-9,11-14,19H,10,15-16H2,1H3,(H,30,31)(H,29,32,33).
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 464.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 53318622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).