3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol

C20H16N4O — CID 67297993

IUPAC3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C20H16N4O/c1-21-20-17-11-14(13-4-2-6-16(25)10-13)7-8-18(17)23-19(24-20)15-5-3-9-22-12-15/h2-12,25H,1H3,(H,21,23,24)
InChIKeyRVFXLDWPDCQVNB-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.11
Rot. Bonds3

About 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol

3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol (PubChem CID 67297993) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol.

Molecular Properties

Compound Name3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
PubChem CID67297993
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C20H16N4O/c1-21-20-17-11-14(13-4-2-6-16(25)10-13)7-8-18(17)23-19(24-20)15-5-3-9-22-12-15/h2-12,25H,1H3,(H,21,23,24)
InChIKeyRVFXLDWPDCQVNB-UHFFFAOYSA-N
XLogP4.11
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
The IUPAC name of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol (CID 67297993) is 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol.
What is the SMILES notation for 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
The canonical SMILES for 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(O)c3)cc12.
What is the InChIKey of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
The InChIKey is RVFXLDWPDCQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-21-20-17-11-14(13-4-2-6-16(25)10-13)7-8-18(17)23-19(24-20)15-5-3-9-22-12-15/h2-12,25H,1H3,(H,21,23,24).
What are the key properties of 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol?
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol has a molecular weight of 328.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol is sourced from PubChem (CID 67297993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).