N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine

C22H18N4O2 — CID 2545874

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC[C@H]3COc4ccccc4O3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N4O2/c1-2-8-18-17(7-1)22(26-21(25-18)15-6-5-11-23-12-15)24-13-16-14-27-19-9-3-4-10-20(19)28-16/h1-12,16H,13-14H2,(H,24,25,26)/t16-/m0/s1
InChIKeySRXDECZUCNOBAY-INIZCTEOSA-N
MW370.41 g/mol
LogP3.94
Rot. Bonds4

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 2545874) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID2545874
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC[C@H]3COc4ccccc4O3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N4O2/c1-2-8-18-17(7-1)22(26-21(25-18)15-6-5-11-23-12-15)24-13-16-14-27-19-9-3-4-10-20(19)28-16/h1-12,16H,13-14H2,(H,24,25,26)/t16-/m0/s1
InChIKeySRXDECZUCNOBAY-INIZCTEOSA-N
XLogP3.94
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 7999462
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 97192688
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142524925
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
CID 155902513
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 2545874) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(NC[C@H]3COc4ccccc4O3)c3ccccc3n2)c1.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is SRXDECZUCNOBAY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-8-18-17(7-1)22(26-21(25-18)15-6-5-11-23-12-15)24-13-16-14-27-19-9-3-4-10-20(19)28-16/h1-12,16H,13-14H2,(H,24,25,26)/t16-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 370.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 2545874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).