2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol

C22H25FN4O — CID 141142026

IUPAC2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol
SMILESCC(C)(C)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C22H25FN4O/c1-22(2,3)26-15-10-11-27(13-15)21-17-12-14(23)8-9-18(17)24-20(25-21)16-6-4-5-7-19(16)28/h4-9,12,15,26,28H,10-11,13H2,1-3H3/t15-/m1/s1
InChIKeyCOLVVZRTIGQUEX-OAHLLOKOSA-N
MW380.47 g/mol
LogP4.11
Rot. Bonds3

About 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol

2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol (PubChem CID 141142026) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol
PubChem CID141142026
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol
SMILESCC(C)(C)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1
InChIInChI=1S/C22H25FN4O/c1-22(2,3)26-15-10-11-27(13-15)21-17-12-14(23)8-9-18(17)24-20(25-21)16-6-4-5-7-19(16)28/h4-9,12,15,26,28H,10-11,13H2,1-3H3/t15-/m1/s1
InChIKeyCOLVVZRTIGQUEX-OAHLLOKOSA-N
XLogP4.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
Changrolin
CID 123775
3-(4-((Tetrahydrofuran-2-Yl)Methylamino)Quinazolin-2-Ylamino)Phenol
CID 644989
4-[[4-(4-Methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol;hydrochloride
CID 2929712
CID 2952131
CID 2952131
4-{4-[(Tetrahydro-furan-2-ylmethyl)-amino]-quinazolin-2-ylamino}-phenol
CID 2953078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol (CID 141142026) is 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol is CC(C)(C)N[C@@H]1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)C1.
What is the InChIKey of 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol?
The InChIKey is COLVVZRTIGQUEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-22(2,3)26-15-10-11-27(13-15)21-17-12-14(23)8-9-18(17)24-20(25-21)16-6-4-5-7-19(16)28/h4-9,12,15,26,28H,10-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol?
2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol has a molecular weight of 380.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-6-fluoroquinazolin-2-yl]phenol is sourced from PubChem (CID 141142026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).