6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine

C24H21N7 — CID 164556578

IUPAC6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2ccc(-c3cncc(-c4cn(C)nn4)c3)cc12)c1ccccc1
InChIInChI=1S/C24H21N7/c1-16(17-6-4-3-5-7-17)28-24-21-11-18(8-9-22(21)26-15-27-24)19-10-20(13-25-12-19)23-14-31(2)30-29-23/h3-16H,1-2H3,(H,26,27,28)/t16-/m1/s1
InChIKeyQSNJEIAPYZDBSO-MRXNPFEDSA-N
MW407.48 g/mol
LogP4.66
Rot. Bonds5

About 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine

6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine (PubChem CID 164556578) has the molecular formula C24H21N7 and a molecular weight of 407.48 g/mol. Its IUPAC name is 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
PubChem CID164556578
Molecular FormulaC24H21N7
Molecular Weight407.48 g/mol
Exact Mass407.19
IUPAC Name6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2ccc(-c3cncc(-c4cn(C)nn4)c3)cc12)c1ccccc1
InChIInChI=1S/C24H21N7/c1-16(17-6-4-3-5-7-17)28-24-21-11-18(8-9-22(21)26-15-27-24)19-10-20(13-25-12-19)23-14-31(2)30-29-23/h3-16H,1-2H3,(H,26,27,28)/t16-/m1/s1
InChIKeyQSNJEIAPYZDBSO-MRXNPFEDSA-N
XLogP4.66
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The IUPAC name of 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine (CID 164556578) is 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine.
What is the SMILES notation for 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The canonical SMILES for 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine is C[C@@H](Nc1ncnc2ccc(-c3cncc(-c4cn(C)nn4)c3)cc12)c1ccccc1.
What is the InChIKey of 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The InChIKey is QSNJEIAPYZDBSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21N7/c1-16(17-6-4-3-5-7-17)28-24-21-11-18(8-9-22(21)26-15-27-24)19-10-20(13-25-12-19)23-14-31(2)30-29-23/h3-16H,1-2H3,(H,26,27,28)/t16-/m1/s1.
What are the key properties of 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine has a molecular weight of 407.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine is sourced from PubChem (CID 164556578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).