N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine

C21H18N4O — CID 91195722

IUPACN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine
SMILESCc1ccc(Oc2ccc(Nc3ncc4ccccc4n3)cc2C)cn1
InChIInChI=1S/C21H18N4O/c1-14-11-17(8-10-20(14)26-18-9-7-15(2)22-13-18)24-21-23-12-16-5-3-4-6-19(16)25-21/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZMNLNNNEBDKBGP-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.18
Rot. Bonds4

About N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine

N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine (PubChem CID 91195722) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine
PubChem CID91195722
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine
SMILESCc1ccc(Oc2ccc(Nc3ncc4ccccc4n3)cc2C)cn1
InChIInChI=1S/C21H18N4O/c1-14-11-17(8-10-20(14)26-18-9-7-15(2)22-13-18)24-21-23-12-16-5-3-4-6-19(16)25-21/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZMNLNNNEBDKBGP-UHFFFAOYSA-N
XLogP5.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine?
The IUPAC name of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine (CID 91195722) is N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine.
What is the SMILES notation for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine?
The canonical SMILES for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine is Cc1ccc(Oc2ccc(Nc3ncc4ccccc4n3)cc2C)cn1.
What is the InChIKey of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine?
The InChIKey is ZMNLNNNEBDKBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-11-17(8-10-20(14)26-18-9-7-15(2)22-13-18)24-21-23-12-16-5-3-4-6-19(16)25-21/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine?
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-2-amine is sourced from PubChem (CID 91195722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).