2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol

C19H20N4O — CID 135921304

IUPAC2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N[C@H]2CCCNC2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c24-17-10-4-2-8-15(17)19-22-16-9-3-1-7-14(16)18(23-19)21-13-6-5-11-20-12-13/h1-4,7-10,13,20,24H,5-6,11-12H2,(H,21,22,23)/t13-/m0/s1
InChIKeyUGTPIQQHQARTPY-ZDUSSCGKSA-N
MW320.40 g/mol
LogP3.17
Rot. Bonds3

About 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol

2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol (PubChem CID 135921304) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol
PubChem CID135921304
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N[C@H]2CCCNC2)c2ccccc2n1
InChIInChI=1S/C19H20N4O/c24-17-10-4-2-8-15(17)19-22-16-9-3-1-7-14(16)18(23-19)21-13-6-5-11-20-12-13/h1-4,7-10,13,20,24H,5-6,11-12H2,(H,21,22,23)/t13-/m0/s1
InChIKeyUGTPIQQHQARTPY-ZDUSSCGKSA-N
XLogP3.17
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol (CID 135921304) is 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(N[C@H]2CCCNC2)c2ccccc2n1.
What is the InChIKey of 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol?
The InChIKey is UGTPIQQHQARTPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O/c24-17-10-4-2-8-15(17)19-22-16-9-3-1-7-14(16)18(23-19)21-13-6-5-11-20-12-13/h1-4,7-10,13,20,24H,5-6,11-12H2,(H,21,22,23)/t13-/m0/s1.
What are the key properties of 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol?
2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol has a molecular weight of 320.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-piperidin-3-yl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135921304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).