[(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol

C21H23FN4O — CID 154488200

IUPAC[(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(NCCc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C21H23FN4O/c22-18-9-3-1-6-15(18)11-12-23-20-17-8-2-4-10-19(17)24-21(25-20)26-13-5-7-16(26)14-27/h1-4,6,8-10,16,27H,5,7,11-14H2,(H,23,24,25)/t16-/m0/s1
InChIKeySASNOSKSVTXGTH-INIZCTEOSA-N
MW366.44 g/mol
LogP3.38
Rot. Bonds6

About [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 154488200) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID154488200
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name[(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(NCCc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C21H23FN4O/c22-18-9-3-1-6-15(18)11-12-23-20-17-8-2-4-10-19(17)24-21(25-20)26-13-5-7-16(26)14-27/h1-4,6,8-10,16,27H,5,7,11-14H2,(H,23,24,25)/t16-/m0/s1
InChIKeySASNOSKSVTXGTH-INIZCTEOSA-N
XLogP3.38
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Importazole
CID 2949965
CID 2971918
CID 2971918
2-({2-[(4-Bromophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2952991
4-Amino-6-[1-[6-fluoro-4-(2-hydroxyethylamino)-3-phenylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49872924
4-N-benzyl-2-N-butylquinazoline-2,4-diamine
CID 52110748
2-[(4-Phenylquinazolin-2-yl)amino]ethanol
CID 661382
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
2-[[2-(3,4-Dimethylanilino)quinazolin-4-yl]amino]ethanol
CID 2226126
2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol
CID 9549592
N-cyclopentyl-2-(2-fluorophenyl)quinazolin-4-amine
CID 929654

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol (CID 154488200) is [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(NCCc2ccccc2F)c2ccccc2n1.
What is the InChIKey of [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SASNOSKSVTXGTH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-18-9-3-1-6-15(18)11-12-23-20-17-8-2-4-10-19(17)24-21(25-20)26-13-5-7-16(26)14-27/h1-4,6,8-10,16,27H,5,7,11-14H2,(H,23,24,25)/t16-/m0/s1.
What are the key properties of [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 366.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[2-(2-fluorophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154488200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).