2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol

C20H16N4O — CID 935994

IUPAC2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C20H16N4O/c25-18-10-4-2-8-16(18)20-23-17-9-3-1-7-15(17)19(24-20)22-13-14-6-5-11-21-12-14/h1-12,25H,13H2,(H,22,23,24)
InChIKeyMTMNCZKFTUQNJT-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.01
Rot. Bonds4

About 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol

2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol (PubChem CID 935994) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol
PubChem CID935994
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C20H16N4O/c25-18-10-4-2-8-16(18)20-23-17-9-3-1-7-15(17)19(24-20)22-13-14-6-5-11-21-12-14/h1-12,25H,13H2,(H,22,23,24)
InChIKeyMTMNCZKFTUQNJT-UHFFFAOYSA-N
XLogP4.01
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol (CID 935994) is 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol?
The InChIKey is MTMNCZKFTUQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-18-10-4-2-8-16(18)20-23-17-9-3-1-7-15(17)19(24-20)22-13-14-6-5-11-21-12-14/h1-12,25H,13H2,(H,22,23,24).
What are the key properties of 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol?
2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol has a molecular weight of 328.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]phenol is sourced from PubChem (CID 935994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).