N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine

C26H23N5O — CID 71179868

IUPACN-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCCn4cccc4)c3)cc12
InChIInChI=1S/C26H23N5O/c1-27-26-23-17-20(9-10-24(23)29-25(30-26)21-7-5-11-28-18-21)19-6-4-8-22(16-19)32-15-14-31-12-2-3-13-31/h2-13,16-18H,14-15H2,1H3,(H,27,29,30)
InChIKeyZOYINGNZGWJIKM-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.28
Rot. Bonds7

About N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine

N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine (PubChem CID 71179868) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
PubChem CID71179868
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC NameN-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCCn4cccc4)c3)cc12
InChIInChI=1S/C26H23N5O/c1-27-26-23-17-20(9-10-24(23)29-25(30-26)21-7-5-11-28-18-21)19-6-4-8-22(16-19)32-15-14-31-12-2-3-13-31/h2-13,16-18H,14-15H2,1H3,(H,27,29,30)
InChIKeyZOYINGNZGWJIKM-UHFFFAOYSA-N
XLogP5.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274687
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
1-cyclopropyl-3-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]propan-2-one
CID 157344313
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71179886
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine (CID 71179868) is N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OCCn4cccc4)c3)cc12.
What is the InChIKey of N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine?
The InChIKey is ZOYINGNZGWJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-27-26-23-17-20(9-10-24(23)29-25(30-26)21-7-5-11-28-18-21)19-6-4-8-22(16-19)32-15-14-31-12-2-3-13-31/h2-13,16-18H,14-15H2,1H3,(H,27,29,30).
What are the key properties of N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine?
N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine has a molecular weight of 421.50 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-yl-6-[3-(2-pyrrol-1-ylethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 71179868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).