N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine

C23H20N4O2 — CID 133385462

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1cc(CNc2nc(-c3ccncc3)nc3ccccc23)c2c(c1)OCCCO2
InChIInChI=1S/C23H20N4O2/c1-2-7-19-18(6-1)23(27-22(26-19)16-9-11-24-12-10-16)25-15-17-5-3-8-20-21(17)29-14-4-13-28-20/h1-3,5-12H,4,13-15H2,(H,25,26,27)
InChIKeyCGATYEKEACOMJZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.47
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 133385462) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID133385462
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESc1cc(CNc2nc(-c3ccncc3)nc3ccccc23)c2c(c1)OCCCO2
InChIInChI=1S/C23H20N4O2/c1-2-7-19-18(6-1)23(27-22(26-19)16-9-11-24-12-10-16)25-15-17-5-3-8-20-21(17)29-14-4-13-28-20/h1-3,5-12H,4,13-15H2,(H,25,26,27)
InChIKeyCGATYEKEACOMJZ-UHFFFAOYSA-N
XLogP4.47
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine with MolForge

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133385669
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133385618
1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326352
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472801
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine (CID 133385462) is N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine is c1cc(CNc2nc(-c3ccncc3)nc3ccccc23)c2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is CGATYEKEACOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-2-7-19-18(6-1)23(27-22(26-19)16-9-11-24-12-10-16)25-15-17-5-3-8-20-21(17)29-14-4-13-28-20/h1-3,5-12H,4,13-15H2,(H,25,26,27).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 384.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 133385462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).