N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine

C19H20N4O2 — CID 166210438

IUPACN-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOC1COCCC1Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c1-24-17-12-25-10-8-16(17)22-19-14-6-2-3-7-15(14)21-18(23-19)13-5-4-9-20-11-13/h2-7,9,11,16-17H,8,10,12H2,1H3,(H,21,22,23)
InChIKeyHMGRKRMLLRHSAW-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.91
Rot. Bonds4

About N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 166210438) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID166210438
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOC1COCCC1Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c1-24-17-12-25-10-8-16(17)22-19-14-6-2-3-7-15(14)21-18(23-19)13-5-4-9-20-11-13/h2-7,9,11,16-17H,8,10,12H2,1H3,(H,21,22,23)
InChIKeyHMGRKRMLLRHSAW-UHFFFAOYSA-N
XLogP2.91
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 131916302
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 133377678
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-methyl-6-[3-(oxan-3-yloxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274689
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2545874
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 7999462
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine (CID 166210438) is N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine is COC1COCCC1Nc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is HMGRKRMLLRHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-17-12-25-10-8-16(17)22-19-14-6-2-3-7-15(14)21-18(23-19)13-5-4-9-20-11-13/h2-7,9,11,16-17H,8,10,12H2,1H3,(H,21,22,23).
What are the key properties of N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 336.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 166210438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).