N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C23H20N4O2 — CID 9196028

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H20N4O2/c1-27(15-16-8-9-20-21(13-16)29-12-11-28-20)23-18-6-2-3-7-19(18)25-22(26-23)17-5-4-10-24-14-17/h2-10,13-14H,11-12,15H2,1H3
InChIKeyQONSZJAECYJUQF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.10
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9196028) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9196028
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H20N4O2/c1-27(15-16-8-9-20-21(13-16)29-12-11-28-20)23-18-6-2-3-7-19(18)25-22(26-23)17-5-4-10-24-14-17/h2-10,13-14H,11-12,15H2,1H3
InChIKeyQONSZJAECYJUQF-UHFFFAOYSA-N
XLogP4.10
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 9196028) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CN(Cc1ccc2c(c1)OCCO2)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is QONSZJAECYJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27(15-16-8-9-20-21(13-16)29-12-11-28-20)23-18-6-2-3-7-19(18)25-22(26-23)17-5-4-10-24-14-17/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 384.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9196028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).