N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine

C28H27N5O2 — CID 59361960

IUPACN-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine
SMILESc1ccc(-c2nc(Nc3ccc4[nH]ccc4c3)c3cc(OCCN4CCOCC4)ccc3n2)cc1
InChIInChI=1S/C28H27N5O2/c1-2-4-20(5-3-1)27-31-26-9-7-23(35-17-14-33-12-15-34-16-13-33)19-24(26)28(32-27)30-22-6-8-25-21(18-22)10-11-29-25/h1-11,18-19,29H,12-17H2,(H,30,31,32)
InChIKeyPBZLDXDXQYITDV-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.23
Rot. Bonds7

About N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine

N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine (PubChem CID 59361960) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine
PubChem CID59361960
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine
SMILESc1ccc(-c2nc(Nc3ccc4[nH]ccc4c3)c3cc(OCCN4CCOCC4)ccc3n2)cc1
InChIInChI=1S/C28H27N5O2/c1-2-4-20(5-3-1)27-31-26-9-7-23(35-17-14-33-12-15-34-16-13-33)19-24(26)28(32-27)30-22-6-8-25-21(18-22)10-11-29-25/h1-11,18-19,29H,12-17H2,(H,30,31,32)
InChIKeyPBZLDXDXQYITDV-UHFFFAOYSA-N
XLogP5.23
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine with MolForge

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Related Compounds

N-(1H-indazol-5-yl)-7-methoxy-6-(2-morpholin-4-ylethoxy)-2-(5-phenylcyclohexa-1,5-dien-1-yl)quinazolin-4-amine
CID 91268583
3-morpholin-4-ylpropyl (E)-4-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-4-oxobut-2-enoate
CID 22122641
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
(E)-2-N-[6-ethoxy-2-[3-(3-morpholin-4-ylpropoxy)phenyl]quinazolin-4-yl]-1-iminobut-2-ene-2,3-diamine
CID 153384152
N-tert-butyl-2-[3-[6-ethoxy-4-(4-morpholin-4-ylanilino)quinazolin-2-yl]phenoxy]acetamide
CID 150752796
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol
CID 137304471
N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
CID 169223003
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-indole-6-carboxamide
CID 84561960

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine (CID 59361960) is N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine is c1ccc(-c2nc(Nc3ccc4[nH]ccc4c3)c3cc(OCCN4CCOCC4)ccc3n2)cc1.
What is the InChIKey of N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine?
The InChIKey is PBZLDXDXQYITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-2-4-20(5-3-1)27-31-26-9-7-23(35-17-14-33-12-15-34-16-13-33)19-24(26)28(32-27)30-22-6-8-25-21(18-22)10-11-29-25/h1-11,18-19,29H,12-17H2,(H,30,31,32).
What are the key properties of N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine?
N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine has a molecular weight of 465.56 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 59361960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).