4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C27H27N9O2 — CID 44568402

IUPAC4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCC(c1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1)N1CCOCC1
InChIInChI=1S/C27H27N9O2/c1-17(34-10-13-37-14-11-34)21-7-5-19-15-18(4-6-22(19)30-21)8-9-35-25-20(16-29-35)26-31-24(23-3-2-12-38-23)33-36(26)27(28)32-25/h2-7,12,15-17H,8-11,13-14H2,1H3,(H2,28,32)
InChIKeyBVDULJDAQZQQCT-UHFFFAOYSA-N
MW509.57 g/mol
LogP3.50
Rot. Bonds6

About 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 44568402) has the molecular formula C27H27N9O2 and a molecular weight of 509.57 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID44568402
Molecular FormulaC27H27N9O2
Molecular Weight509.57 g/mol
Exact Mass509.23
IUPAC Name4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESCC(c1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1)N1CCOCC1
InChIInChI=1S/C27H27N9O2/c1-17(34-10-13-37-14-11-34)21-7-5-19-15-18(4-6-22(19)30-21)8-9-35-25-20(16-29-35)26-31-24(23-3-2-12-38-23)33-36(26)27(28)32-25/h2-7,12,15-17H,8-11,13-14H2,1H3,(H2,28,32)
InChIKeyBVDULJDAQZQQCT-UHFFFAOYSA-N
XLogP3.50
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 44568402) is 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is CC(c1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1)N1CCOCC1.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is BVDULJDAQZQQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O2/c1-17(34-10-13-37-14-11-34)21-7-5-19-15-18(4-6-22(19)30-21)8-9-35-25-20(16-29-35)26-31-24(23-3-2-12-38-23)33-36(26)27(28)32-25/h2-7,12,15-17H,8-11,13-14H2,1H3,(H2,28,32).
What are the key properties of 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 509.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-[2-(1-morpholin-4-ylethyl)quinolin-6-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 44568402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).