8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C25H23ClN6O2 — CID 156557499

IUPAC8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2ccc(CN3CCOCC3)o2)c1)c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C25H23ClN6O2/c1-30(24-21-7-5-18(26)14-22(21)32-16-27-29-25(32)28-24)19-4-2-3-17(13-19)23-8-6-20(34-23)15-31-9-11-33-12-10-31/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyNAIDFNKGRUZGIU-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.79
Rot. Bonds5

About 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156557499) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156557499
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cccc(-c2ccc(CN3CCOCC3)o2)c1)c1nc2nncn2c2cc(Cl)ccc12
InChIInChI=1S/C25H23ClN6O2/c1-30(24-21-7-5-18(26)14-22(21)32-16-27-29-25(32)28-24)19-4-2-3-17(13-19)23-8-6-20(34-23)15-31-9-11-33-12-10-31/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyNAIDFNKGRUZGIU-UHFFFAOYSA-N
XLogP4.79
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156557499) is 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cccc(-c2ccc(CN3CCOCC3)o2)c1)c1nc2nncn2c2cc(Cl)ccc12.
What is the InChIKey of 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is NAIDFNKGRUZGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-30(24-21-7-5-18(26)14-22(21)32-16-27-29-25(32)28-24)19-4-2-3-17(13-19)23-8-6-20(34-23)15-31-9-11-33-12-10-31/h2-8,13-14,16H,9-12,15H2,1H3.
What are the key properties of 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 474.95 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methyl-N-[3-[5-(morpholin-4-ylmethyl)furan-2-yl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156557499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).