4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

C19H19FN4O — CID 135921429

IUPAC4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESCN(c1nc(-c2cc(F)ccc2O)nc2ccccc12)[C@H]1CCNC1
InChIInChI=1S/C19H19FN4O/c1-24(13-8-9-21-11-13)19-14-4-2-3-5-16(14)22-18(23-19)15-10-12(20)6-7-17(15)25/h2-7,10,13,21,25H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyNSHYVUYYNZLABV-ZDUSSCGKSA-N
MW338.39 g/mol
LogP2.94
Rot. Bonds3

About 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (PubChem CID 135921429) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
PubChem CID135921429
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESCN(c1nc(-c2cc(F)ccc2O)nc2ccccc12)[C@H]1CCNC1
InChIInChI=1S/C19H19FN4O/c1-24(13-8-9-21-11-13)19-14-4-2-3-5-16(14)22-18(23-19)15-10-12(20)6-7-17(15)25/h2-7,10,13,21,25H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyNSHYVUYYNZLABV-ZDUSSCGKSA-N
XLogP2.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CP-31398
CID 9950868
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
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-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The IUPAC name of 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (CID 135921429) is 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is CN(c1nc(-c2cc(F)ccc2O)nc2ccccc12)[C@H]1CCNC1.
What is the InChIKey of 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The InChIKey is NSHYVUYYNZLABV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-24(13-8-9-21-11-13)19-14-4-2-3-5-16(14)22-18(23-19)15-10-12(20)6-7-17(15)25/h2-7,10,13,21,25H,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol has a molecular weight of 338.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-[methyl-[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135921429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).