8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine

C30H34N6O3 — CID 175011516

IUPAC8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
SMILESCC(Oc1ccc(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)cc1)C1CNCCO1
InChIInChI=1S/C30H34N6O3/c1-20(27-19-32-13-16-38-27)39-22-11-9-21(10-12-22)23-5-4-6-24-28(23)34-30(35-29(24)31)33-25-7-2-3-8-26(25)36-14-17-37-18-15-36/h2-12,20,27,32H,13-19H2,1H3,(H3,31,33,34,35)
InChIKeyFWZQEABSYQQHAH-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.21
Rot. Bonds7

About 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine

8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine (PubChem CID 175011516) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
PubChem CID175011516
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
SMILESCC(Oc1ccc(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)cc1)C1CNCCO1
InChIInChI=1S/C30H34N6O3/c1-20(27-19-32-13-16-38-27)39-22-11-9-21(10-12-22)23-5-4-6-24-28(23)34-30(35-29(24)31)33-25-7-2-3-8-26(25)36-14-17-37-18-15-36/h2-12,20,27,32H,13-19H2,1H3,(H3,31,33,34,35)
InChIKeyFWZQEABSYQQHAH-UHFFFAOYSA-N
XLogP4.21
TPSA106.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-2-N-(6-piperazin-1-yl-3-pyridinyl)quinazoline-2,4-diamine
CID 175017186
8-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 175013964
8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine
CID 175337831
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295475
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 2741200
(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
CID 68538619
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
6-(2-morpholin-4-ylphenyl)-5-piperazin-1-ylpyrimidine-2,4-diamine
CID 137481303
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine (CID 175011516) is 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine is CC(Oc1ccc(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)cc1)C1CNCCO1.
What is the InChIKey of 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
The InChIKey is FWZQEABSYQQHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-20(27-19-32-13-16-38-27)39-22-11-9-21(10-12-22)23-5-4-6-24-28(23)34-30(35-29(24)31)33-25-7-2-3-8-26(25)36-14-17-37-18-15-36/h2-12,20,27,32H,13-19H2,1H3,(H3,31,33,34,35).
What are the key properties of 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine?
8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine has a molecular weight of 526.64 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-morpholin-2-ylethoxy)phenyl]-2-N-(2-morpholin-4-ylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 175011516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).