1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine

C31H31N3O — CID 175242041

IUPAC1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine
SMILESC1=CC2=C(CC1)CCc1c2ccc2cc(CN3CCOCC3)ccc12.c1cnc2ccncc2c1
InChIInChI=1S/C23H25NO.C8H6N2/c1-2-4-20-18(3-1)6-9-23-21-8-5-17(15-19(21)7-10-22(20)23)16-24-11-13-25-14-12-24;1-2-7-6-9-5-3-8(7)10-4-1/h2,4-5,7-8,10,15H,1,3,6,9,11-14,16H2;1-6H
InChIKeyMTWCDVRMKLFULT-UHFFFAOYSA-N
MW461.61 g/mol
LogP6.35
Rot. Bonds2

About 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine

1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine (PubChem CID 175242041) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine.

Molecular Properties

Compound Name1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine
PubChem CID175242041
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC Name1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine
SMILESC1=CC2=C(CC1)CCc1c2ccc2cc(CN3CCOCC3)ccc12.c1cnc2ccncc2c1
InChIInChI=1S/C23H25NO.C8H6N2/c1-2-4-20-18(3-1)6-9-23-21-8-5-17(15-19(21)7-10-22(20)23)16-24-11-13-25-14-12-24;1-2-7-6-9-5-3-8(7)10-4-1/h2,4-5,7-8,10,15H,1,3,6,9,11-14,16H2;1-6H
InChIKeyMTWCDVRMKLFULT-UHFFFAOYSA-N
XLogP6.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine?
The IUPAC name of 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine (CID 175242041) is 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine.
What is the SMILES notation for 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine?
The canonical SMILES for 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine is C1=CC2=C(CC1)CCc1c2ccc2cc(CN3CCOCC3)ccc12.c1cnc2ccncc2c1.
What is the InChIKey of 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine?
The InChIKey is MTWCDVRMKLFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO.C8H6N2/c1-2-4-20-18(3-1)6-9-23-21-8-5-17(15-19(21)7-10-22(20)23)16-24-11-13-25-14-12-24;1-2-7-6-9-5-3-8(7)10-4-1/h2,4-5,7-8,10,15H,1,3,6,9,11-14,16H2;1-6H.
What are the key properties of 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine?
1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine has a molecular weight of 461.61 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine is sourced from PubChem (CID 175242041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).