2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol

C26H26N4O2 — CID 137304471

IUPAC2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Nc2ccc(OCCN3CCCC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H26N4O2/c31-24-10-4-2-8-22(24)26-28-23-9-3-1-7-21(23)25(29-26)27-19-11-13-20(14-12-19)32-18-17-30-15-5-6-16-30/h1-4,7-14,31H,5-6,15-18H2,(H,27,28,29)
InChIKeyMVCRWLYNWGPQNN-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.22
Rot. Bonds7

About 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol

2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol (PubChem CID 137304471) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol
PubChem CID137304471
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Nc2ccc(OCCN3CCCC3)cc2)c2ccccc2n1
InChIInChI=1S/C26H26N4O2/c31-24-10-4-2-8-22(24)26-28-23-9-3-1-7-21(23)25(29-26)27-19-11-13-20(14-12-19)32-18-17-30-15-5-6-16-30/h1-4,7-14,31H,5-6,15-18H2,(H,27,28,29)
InChIKeyMVCRWLYNWGPQNN-UHFFFAOYSA-N
XLogP5.22
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
1-(2-chloroquinazolin-4-yl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazole-3,5-diamine
CID 24986245
5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
CID 11772958
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]phenyl]acetamide
CID 134132979
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 42623141
5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine
CID 173147727
4-N-(4-chlorophenyl)-2-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine;hydrochloride
CID 139925370
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
4-chloro-3-[6-chloro-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenol
CID 11620222
3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-quinoxalin-2-yl-1,2,4-triazole-3,5-diamine
CID 24987307
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol (CID 137304471) is 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(Nc2ccc(OCCN3CCCC3)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol?
The InChIKey is MVCRWLYNWGPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-24-10-4-2-8-22(24)26-28-23-9-3-1-7-21(23)25(29-26)27-19-11-13-20(14-12-19)32-18-17-30-15-5-6-16-30/h1-4,7-14,31H,5-6,15-18H2,(H,27,28,29).
What are the key properties of 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol?
2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol has a molecular weight of 426.52 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol is sourced from PubChem (CID 137304471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).