8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine

C27H31N7O2 — CID 175013964

IUPAC8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
SMILESCN(C)CCOc1ccnc(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)c1
InChIInChI=1S/C27H31N7O2/c1-33(2)12-17-36-19-10-11-29-23(18-19)20-6-5-7-21-25(20)31-27(32-26(21)28)30-22-8-3-4-9-24(22)34-13-15-35-16-14-34/h3-11,18H,12-17H2,1-2H3,(H3,28,30,31,32)
InChIKeyJXMBYNYIMKDWMF-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.79
Rot. Bonds8

About 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine

8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine (PubChem CID 175013964) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
PubChem CID175013964
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
SMILESCN(C)CCOc1ccnc(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)c1
InChIInChI=1S/C27H31N7O2/c1-33(2)12-17-36-19-10-11-29-23(18-19)20-6-5-7-21-25(20)31-27(32-26(21)28)30-22-8-3-4-9-24(22)34-13-15-35-16-14-34/h3-11,18H,12-17H2,1-2H3,(H3,28,30,31,32)
InChIKeyJXMBYNYIMKDWMF-UHFFFAOYSA-N
XLogP3.79
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 175011516
(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175011032
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112886134
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
8-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163106
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine (CID 175013964) is 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine is CN(C)CCOc1ccnc(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)c1.
What is the InChIKey of 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The InChIKey is JXMBYNYIMKDWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-33(2)12-17-36-19-10-11-29-23(18-19)20-6-5-7-21-25(20)31-27(32-26(21)28)30-22-8-3-4-9-24(22)34-13-15-35-16-14-34/h3-11,18H,12-17H2,1-2H3,(H3,28,30,31,32).
What are the key properties of 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine has a molecular weight of 485.59 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 175013964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).