[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol

C18H18ClN3O2 — CID 95802801

IUPAC[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1CO
InChIInChI=1S/C18H18ClN3O2/c1-24-16-5-2-11(8-12(16)10-23)17-21-15-9-13(19)3-4-14(15)18-20-6-7-22(17)18/h2-5,8-9,17,21,23H,6-7,10H2,1H3/t17-/m0/s1
InChIKeyLWFFXOZYTVLIBW-KRWDZBQOSA-N
MW343.81 g/mol
LogP3.03
Rot. Bonds3

About [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol

[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol (PubChem CID 95802801) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol
PubChem CID95802801
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1CO
InChIInChI=1S/C18H18ClN3O2/c1-24-16-5-2-11(8-12(16)10-23)17-21-15-9-13(19)3-4-14(15)18-20-6-7-22(17)18/h2-5,8-9,17,21,23H,6-7,10H2,1H3/t17-/m0/s1
InChIKeyLWFFXOZYTVLIBW-KRWDZBQOSA-N
XLogP3.03
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol (CID 95802801) is [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol is COc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)cc1CO.
What is the InChIKey of [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol?
The InChIKey is LWFFXOZYTVLIBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-24-16-5-2-11(8-12(16)10-23)17-21-15-9-13(19)3-4-14(15)18-20-6-7-22(17)18/h2-5,8-9,17,21,23H,6-7,10H2,1H3/t17-/m0/s1.
What are the key properties of [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol?
[5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol has a molecular weight of 343.81 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5S)-8-chloro-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 95802801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).