7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide

C30H26N4O4 — CID 148746011

IUPAC7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
SMILESNC(=O)c1cc(-c2cnc(OCc3ccccc3)nc2)cc2c1Cc1cc(C(=O)N3CCOCC3)ccc1-2
InChIInChI=1S/C30H26N4O4/c31-28(35)27-14-21(23-16-32-30(33-17-23)38-18-19-4-2-1-3-5-19)13-25-24-7-6-20(12-22(24)15-26(25)27)29(36)34-8-10-37-11-9-34/h1-7,12-14,16-17H,8-11,15,18H2,(H2,31,35)
InChIKeyODTMPGPYGORIFW-UHFFFAOYSA-N
MW506.56 g/mol
LogP3.87
Rot. Bonds6

About 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide

7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide (PubChem CID 148746011) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
PubChem CID148746011
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC Name7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
SMILESNC(=O)c1cc(-c2cnc(OCc3ccccc3)nc2)cc2c1Cc1cc(C(=O)N3CCOCC3)ccc1-2
InChIInChI=1S/C30H26N4O4/c31-28(35)27-14-21(23-16-32-30(33-17-23)38-18-19-4-2-1-3-5-19)13-25-24-7-6-20(12-22(24)15-26(25)27)29(36)34-8-10-37-11-9-34/h1-7,12-14,16-17H,8-11,15,18H2,(H2,31,35)
InChIKeyODTMPGPYGORIFW-UHFFFAOYSA-N
XLogP3.87
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 159940152
7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-fluorene-1-carboxamide
CID 159441478
7-(morpholine-4-carbonyl)-3-(4-morpholin-4-ylphenyl)-9H-fluorene-1-carboxamide
CID 149273217
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 161097757
3-(cyclohexen-1-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 146686457
3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 152964048
7-morpholin-4-yl-3-phenyl-9H-fluorene-1-carboxamide
CID 158093080
3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
CID 160879979
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 146851107
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
methyl 7-(morpholine-4-carbonyl)-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxylate
CID 148593783

Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide?
The IUPAC name of 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide (CID 148746011) is 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide is NC(=O)c1cc(-c2cnc(OCc3ccccc3)nc2)cc2c1Cc1cc(C(=O)N3CCOCC3)ccc1-2.
What is the InChIKey of 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide?
The InChIKey is ODTMPGPYGORIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c31-28(35)27-14-21(23-16-32-30(33-17-23)38-18-19-4-2-1-3-5-19)13-25-24-7-6-20(12-22(24)15-26(25)27)29(36)34-8-10-37-11-9-34/h1-7,12-14,16-17H,8-11,15,18H2,(H2,31,35).
What are the key properties of 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide?
7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 148746011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).