2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol

C25H30FN5O2 — CID 137423310

IUPAC2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOC1C=NCCC1C1=CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)C=C1
InChIInChI=1S/C25H30FN5O2/c1-30(13-14-32)18-3-4-21-20(15-18)23(29-24(28-21)25(26)8-9-25)31-11-6-17(7-12-31)19-5-10-27-16-22(19)33-2/h3-4,6-7,11,15-16,19,22,32H,5,8-10,12-14H2,1-2H3
InChIKeyPNXQAWBEAJTZFM-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.38
Rot. Bonds7

About 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol

2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 137423310) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID137423310
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOC1C=NCCC1C1=CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)C=C1
InChIInChI=1S/C25H30FN5O2/c1-30(13-14-32)18-3-4-21-20(15-18)23(29-24(28-21)25(26)8-9-25)31-11-6-17(7-12-31)19-5-10-27-16-22(19)33-2/h3-4,6-7,11,15-16,19,22,32H,5,8-10,12-14H2,1-2H3
InChIKeyPNXQAWBEAJTZFM-UHFFFAOYSA-N
XLogP3.38
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol (CID 137423310) is 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol is COC1C=NCCC1C1=CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)C=C1.
What is the InChIKey of 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is PNXQAWBEAJTZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-30(13-14-32)18-3-4-21-20(15-18)23(29-24(28-21)25(26)8-9-25)31-11-6-17(7-12-31)19-5-10-27-16-22(19)33-2/h3-4,6-7,11,15-16,19,22,32H,5,8-10,12-14H2,1-2H3.
What are the key properties of 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 451.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 137423310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).