[5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol

C24H23N5O2 — CID 163290767

IUPAC[5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc(CO)c4)cc3n1)CNCC2
InChIInChI=1S/C24H23N5O2/c1-31-23-9-17-4-5-25-11-20(17)8-22(23)29-24-27-13-18-3-2-16(7-21(18)28-24)19-6-15(14-30)10-26-12-19/h2-3,6-10,12-13,25,30H,4-5,11,14H2,1H3,(H,27,28,29)
InChIKeyFKHAMAWUKOIEDQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.58
Rot. Bonds5

About [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol

[5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol (PubChem CID 163290767) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol
PubChem CID163290767
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc(CO)c4)cc3n1)CNCC2
InChIInChI=1S/C24H23N5O2/c1-31-23-9-17-4-5-25-11-20(17)8-22(23)29-24-27-13-18-3-2-16(7-21(18)28-24)19-6-15(14-30)10-26-12-19/h2-3,6-10,12-13,25,30H,4-5,11,14H2,1H3,(H,27,28,29)
InChIKeyFKHAMAWUKOIEDQ-UHFFFAOYSA-N
XLogP3.58
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol (CID 163290767) is [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol is COc1cc2c(cc1Nc1ncc3ccc(-c4cncc(CO)c4)cc3n1)CNCC2.
What is the InChIKey of [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol?
The InChIKey is FKHAMAWUKOIEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-23-9-17-4-5-25-11-20(17)8-22(23)29-24-27-13-18-3-2-16(7-21(18)28-24)19-6-15(14-30)10-26-12-19/h2-3,6-10,12-13,25,30H,4-5,11,14H2,1H3,(H,27,28,29).
What are the key properties of [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol?
[5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol has a molecular weight of 413.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 163290767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).