2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

C19H20N4O — CID 135921309

IUPAC2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESCN1CC[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)C1
InChIInChI=1S/C19H20N4O/c1-23-11-10-13(12-23)20-18-14-6-2-4-8-16(14)21-19(22-18)15-7-3-5-9-17(15)24/h2-9,13,24H,10-12H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyHKIOEJLYMGIAOQ-ZDUSSCGKSA-N
MW320.40 g/mol
LogP3.12
Rot. Bonds3

About 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (PubChem CID 135921309) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
PubChem CID135921309
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESCN1CC[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)C1
InChIInChI=1S/C19H20N4O/c1-23-11-10-13(12-23)20-18-14-6-2-4-8-16(14)21-19(22-18)15-7-3-5-9-17(15)24/h2-9,13,24H,10-12H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyHKIOEJLYMGIAOQ-ZDUSSCGKSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (CID 135921309) is 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is CN1CC[C@H](Nc2nc(-c3ccccc3O)nc3ccccc23)C1.
What is the InChIKey of 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The InChIKey is HKIOEJLYMGIAOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23-11-10-13(12-23)20-18-14-6-2-4-8-16(14)21-19(22-18)15-7-3-5-9-17(15)24/h2-9,13,24H,10-12H2,1H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol has a molecular weight of 320.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-1-methylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135921309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).